SCHEMBL5868058

SCHEMBL5868058

CN1CCN(C(=O)Nc2ccc(CC(=O)Nc3cc(C4CC4)n[nH]3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.44
RET P07949 3/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NAMPT P43490 2/20 0.42
ROCK2 O75116 1/20 0.42
CRACR2A Q9BSW2 1/20 0.41
IGF1R P08069 1/20 0.41
CDK2 P24941 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CCR2 P41597 1/20 0.40
KCNH2 Q12809 1/20 0.40
FAAH O00519 2/20 0.40
FLT3 P36888 1/20 0.40
CCNA2 P20248 1/20 0.39
CCNA1 P78396 1/20 0.39

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
SCHEMBL5867962 0.91 RAB9A (0.46) SMN1; SMN2NPC1RAB9ACRACR2ACDK2
SCHEMBL5867738 0.90 RAB9A (0.48) SMN1; SMN2NPC1RAB9ACRACR2ACDK2
SCHEMBL5867607 0.88 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9A
SCHEMBL5867511 0.83 NLRP3 (0.47) CRACR2ACDK2CCNA2CCNA1
SCHEMBL5867860 0.80 CDK2 (0.49) SMN1; SMN2NPC1RAB9ACDK2CCNA2
SCHEMBL5597614 0.80 HRH4 (0.42) KDM4ESMN1; SMN2ALDH1A1CCR2KCNH2
SCHEMBL5867496 0.79 LMNA (0.50) SMN1; SMN2NPC1RAB9ACDK2CCNA2
SCHEMBL5867687 0.78 CDK2 (0.49) SMN1; SMN2CDK2CCNA2CCNA1
SCHEMBL5867749 0.78 CDK2 (0.49) CRACR2ACDK2CCNA2CCNA1
SCHEMBL5867926 0.77 CDK2 (0.62) CRACR2ACDK2CCNA2CCNA1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034049-B1 3(5)-amino-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2006-04-25 US claimed
EP-1202733-B1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-10-05 EP claimed
EP-1202733-A4 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2003-05-14 EP claimed
JP-2003507329-A 2003-02-25 JP claimed
EP-1202733-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 EP claimed
WO-2001012189-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-02-22 WO claimed
US-7034049-B1 3(5)-amino-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2006-04-25 US disclosed
EP-1202733-B1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-10-05 EP disclosed
EP-1202733-A4 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2003-05-14 EP disclosed
EP-1202733-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 EP disclosed
WO-2001012189-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-02-22 WO disclosed