SCHEMBL6603569

SCHEMBL6603569

CCC(C)NC(=O)n1nc(-c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2O)cc1C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 12/20 0.40
▸ JAK2 O60674 8/20 0.40
▸ JAK1 P23458 4/20 0.40
▸ CRACR2A Q9BSW2 2/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ ACKR3 P25106 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PTPRC P08575 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL6616391 0.98 TYK2 (0.40) TYK2JAK2JAK1CRACR2AITGB1
SCHEMBL6604492 0.92 CRACR2A (0.39) TYK2JAK2JAK1CRACR2AITGB1
SCHEMBL6619499 0.91 CHRM5 (0.40) NPC1RAB9ASMN1; SMN2
SCHEMBL6605166 0.91 TYK2 (0.43) TYK2JAK2JAK1CRACR2AITGB1
SCHEMBL6603775 0.87 TYK2 (0.41) TYK2JAK2JAK1CRACR2AITGB1
SCHEMBL6609028 0.86 TYK2 (0.43) TYK2JAK2JAK1CRACR2AITGB1
SCHEMBL6616176 0.86 RAB9A (0.43) NPC1RAB9ASMN1; SMN2
SCHEMBL6620323 0.85 TYK2 (0.41) TYK2JAK2JAK1CRACR2AITGB1
SCHEMBL6616599 0.85 KMT2A (0.43) —
SCHEMBL6615819 0.85 NPSR1 (0.40) NPC1RAB9ASMN1; 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 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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