SCHEMBL5597634

SCHEMBL5597634

O=CNc1cccc(NC(=O)Nc2cc(C3CC3)n[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 10/20 0.41
KCNJ3 P48549 10/20 0.41
KCNJ5 P48544 7/20 0.41
POLB P06746 1/20 0.38
DDX3X O00571 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
KDR P35968 1/20 0.36
GRM5 P41594 1/20 0.36
RAF1 P04049 2/20 0.36

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
SCHEMBL5597907 0.84 DDX3X (0.57) KCNJ6KCNJ3KCNJ5DDX3XMEN1
SCHEMBL5597514 0.84 TRPV1 (0.44) KCNJ6KCNJ3KCNJ5DDX3XMEN1
SCHEMBL5597942 0.84 TP53 (0.47) KCNJ6KCNJ3KCNJ5MEN1ALDH1A1
SCHEMBL5597878 0.82 MEN1 (0.53) POLBMEN1ALDH1A1MAPTHTT
SCHEMBL5597764 0.82 NPC1 (0.53) KCNJ6KCNJ3KCNJ5MEN1LMNA
SCHEMBL5597503 0.82 AAK1 (0.45) KCNJ6KCNJ3KCNJ5POLBMEN1
SCHEMBL7050959 0.81 HDAC6 (0.44) KCNJ6KCNJ3KCNJ5MEN1KMT2A
SCHEMBL5597510 0.81 KCNJ6 (0.41) KCNJ6KCNJ3KCNJ5POLBDDX3X
SCHEMBL5597880 0.81 RXFP1 (0.44) KCNJ6KCNJ3KCNJ5MEN1ALDH1A1
SCHEMBL5597681 0.81 TP53 (0.54) MEN1ALDH1A1LMNAMAPTHTT

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 4 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
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US 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
US-6387900-B1 ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-05-14 US disclosed