SCHEMBL6618968

SCHEMBL6618968

Cc1cccc(CNC(=O)n2nc(-c3cc(NC(=O)c4cccnc4)ccc3O)cc2C2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ ACKR3 P25106 1/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ NAMPT P43490 2/20 0.40
▸ ROCK2 O75116 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CSF1R P07333 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
SCHEMBL6616214 0.92 NAMPT (0.46) CRACR2ANPC1RAB9ANAMPTHTT
SCHEMBL6677022 0.89 NAMPT (0.45) CRACR2ANPC1ACKR3RAB9ANAMPT
SCHEMBL6619830 0.88 CRACR2A (0.46) CRACR2ANPC1RAB9ASMN1; SMN2
SCHEMBL6616425 0.87 NAMPT (0.40) NPC1ACKR3RAB9ANAMPTROCK2
SCHEMBL6616130 0.87 ASAH1 (0.38) NPC1RAB9AROCK2TSHR
SCHEMBL6616574 0.86 NR1H4 (0.42) LMNANPC1RAB9ANAMPTHTT
SCHEMBL6616798 0.86 KDM4C (0.44) CRACR2ANPC1ACKR3RAB9ANAMPT
SCHEMBL6618827 0.85 ACKR3 (0.40) CRACR2ALMNANPC1ACKR3RAB9A
SCHEMBL6615008 0.84 SMN1; SMN2 (0.47) CRACR2ALMNANPC1ACKR3RAB9A
SCHEMBL6621069 0.84 CRACR2A (0.44) CRACR2ANPC1RAB9AROCK2SMN1; SMN2

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 disclosed
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 disclosed
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