SCHEMBL6603775

SCHEMBL6603775

CC(C)NC(=O)n1nc(-c2cc(NC(=O)c3c(Cl)cccc3Cl)ccc2O)cc1C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 10/20 0.41
▸ JAK2 O60674 7/20 0.41
▸ JAK1 P23458 4/20 0.41
▸ CRACR2A Q9BSW2 2/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ NR1H4 Q96RI1 2/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PTPRC P08575 1/20 0.36
▸ ACKR3 P25106 1/20 0.36

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
SCHEMBL6605166 0.93 TYK2 (0.43) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6604492 0.89 CRACR2A (0.39) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6617797 0.89 TYK2 (0.42) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6603569 0.87 TYK2 (0.40) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6616391 0.86 TYK2 (0.40) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6618633 0.85 HSD11B1 (0.42) CRACR2ARAB9ASMN1; SMN2
SCHEMBL6618158 0.85 CRACR2A (0.42) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6617665 0.85 KMT2A (0.38) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6618410 0.84 MAPT (0.44) CRACR2ARAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6617588 0.84 KDM5A (0.42) NPC1RAB9AMEN1KMT2ASMN1; 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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