SCHEMBL5597837

SCHEMBL5597837

CN(Cc1ccccc1NC(=O)Nc1cc(C2CC2)n[nH]1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.52
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 1/20 0.48
ABL1 P00519 1/20 0.48
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
ACKR3 P25106 1/20 0.45
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
CHEK1 O14757 1/20 0.37
NTRK1 P04629 1/20 0.37
FYN P06241 1/20 0.37
RET P07949 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 1/20 0.37
FGFR1 P11362 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5597645 0.76 NPC1 (0.45) ALDH1A1MAPTNPSR1LMNAPOLB
SCHEMBL13417673 0.76 OPRK1 (0.62) OPRK1KDM4EALDH1A1TDP1ABL1
SCHEMBL5597710 0.76 STAT3 (0.49) KDM4ETDP1MAPTNPSR1LMNA
SCHEMBL13453373 0.75 KDM4E (0.64) OPRK1KDM4EALDH1A1TDP1ABL1
SCHEMBL7923968 0.74 ALDH1A1 (0.61) OPRK1KDM4EALDH1A1TDP1ABL1
SCHEMBL5597515 0.74 MAPT (0.53) KDM4EALDH1A1MAPTNPSR1POLB
SCHEMBL5597749 0.73 NPC1 (0.46) MAPTNTRK1FLT3
SCHEMBL5597942 0.72 TP53 (0.47) KDM4EALDH1A1MAPTNPSR1LMNA
SCHEMBL6286125 0.70 CCNE1 (0.52) OPRK1KDM4EALDH1A1TDP1ABL1
SCHEMBL5597596 0.70 NPC1 (0.52) ALDH1A1LMNAKMT2AROCK1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202734-B1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-05-02 EP claimed
EP-1202734-A4 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2004-09-01 EP claimed
JP-2003507328-A 2003-02-25 JP claimed
CN-1379668-A 3(5)-ureido-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2002-11-13 CN claimed
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US claimed
EP-1202734-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 EP claimed
WO-2001012188-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-02-22 WO claimed
EP-1202734-B1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-05-02 EP disclosed
EP-1202734-A4 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2004-09-01 EP disclosed
CN-1379668-A 3(5)-ureido-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2002-11-13 CN disclosed
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US disclosed
EP-1202734-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 EP disclosed
WO-2001012188-A1 3(5)-UREIDO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-02-22 WO disclosed