SCHEMBL6618083

SCHEMBL6618083

O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3cccc(F)c3)n2)c(O)c1)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 6/20 0.46
▸ CRACR2A Q9BSW2 4/20 0.44
▸ ROCK2 O75116 3/20 0.41
▸ ACKR3 P25106 2/20 0.40
▸ HDAC1 Q13547 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38

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
SCHEMBL6615537 0.90 LMNA (0.45) NAMPTROCK2ACKR3HDAC1JAK2
SCHEMBL6608110 0.90 CRACR2A (0.44) NAMPTCRACR2AACKR3
SCHEMBL6634119 0.88 CNR1 (0.42) NAMPTCRACR2AJAK2MAPT
SCHEMBL6615977 0.87 LMNA (0.42) NAMPTROCK2ACKR3HDAC1JAK2
SCHEMBL6614876 0.87 MEN1 (0.43) NAMPTROCK2ACKR3HDAC1JAK2
SCHEMBL6616488 0.87 GCGR (0.43) NAMPT
SCHEMBL6624191 0.87 CRACR2A (0.46) NAMPTCRACR2AROCK2HDAC1MAPT
SCHEMBL6603139 0.86 BRAF (0.40) NAMPTROCK2MAPT
SCHEMBL6618100 0.86 CNR1 (0.41) NAMPTROCK2ACKR3MAPT
SCHEMBL6617364 0.86 CNR1 (0.42) NAMPTCRACR2AACKR3JAK2MAPT

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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