SCHEMBL6615537

SCHEMBL6615537

Cc1ccc(C(=O)Nc2ccc(-c3cc(C4CCCC4)n(C(=O)NCc4cccc(F)c4)n3)c(O)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ NAMPT P43490 2/20 0.42
▸ P2RY14 Q15391 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ ACKR3 P25106 1/20 0.39
▸ ROCK2 O75116 2/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ POLB P06746 3/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL6615977 0.94 LMNA (0.42) LMNANAMPTP2RY14MAPTHDAC1
SCHEMBL6673259 0.93 NAMPT (0.41) NAMPTMAPTACKR3ROCK2POLB
SCHEMBL6616947 0.91 SSTR3 (0.43) LMNANAMPTP2RY14MAPTPOLB
SCHEMBL6613507 0.90 MAPT (0.42) LMNANAMPTP2RY14MAPTPOLB
SCHEMBL6618083 0.90 NAMPT (0.46) NAMPTMAPTHDAC1JAK2TP53
SCHEMBL6614876 0.89 MEN1 (0.43) NAMPTMAPTHDAC1JAK2TP53
SCHEMBL6616488 0.89 GCGR (0.43) NAMPTEPHX2
SCHEMBL6603139 0.89 BRAF (0.40) LMNANAMPTMAPTROCK2POLB
SCHEMBL6617364 0.87 CNR1 (0.42) NAMPTMAPTJAK2ACKR3POLB
SCHEMBL6614591 0.87 P2RY14 (0.42) NAMPTP2RY14MAPTHDAC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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