SCHEMBL6619665

SCHEMBL6619665

Cc1ccc(C(=O)Nc2ccc(-c3cc(C4CCCC4)n(C(=O)NCc4ccccc4C)n3)c(O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPK14 Q16539 2/20 0.40
▸ MAPT P10636 2/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ BCHE P06276 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ROCK2 O75116 2/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ROCK1 Q13464 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KCNJ6 P48051 1/20 0.37
▸ KCNJ5 P48544 1/20 0.37
▸ KCNJ3 P48549 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
SCHEMBL6623103 0.94 MAPK14 (0.40) P2RY14POLBMAPK14MAPTEPHX2
SCHEMBL6614591 0.92 P2RY14 (0.42) P2RY14POLBMAPK14MAPTBCHE
SCHEMBL6616371 0.92 ACKR3 (0.43) P2RY14POLBMAPTTP53ROCK2
SCHEMBL6618867 0.90 TP53 (0.41) POLBMAPK14MAPTEPHX2TP53
SCHEMBL6617061 0.90 TAOK1 (0.42) POLBMAPK14MAPTEPHX2TP53
SCHEMBL6613507 0.89 MAPT (0.42) P2RY14POLBMAPK14MAPTNAMPT
SCHEMBL6603910 0.88 NAMPT (0.42) POLBMAPK14EPHX2ROCK2NAMPT
SCHEMBL6616981 0.88 GNRHR (0.41) POLBMAPTEPHX2BCHETP53
SCHEMBL6617159 0.87 JAK2 (0.38) EPHX2TP53NPC1RAB9A
SCHEMBL6673259 0.87 NAMPT (0.41) POLBMAPK14MAPTROCK2NAMPT

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
Send feedback