SCHEMBL6618158

SCHEMBL6618158

O=C(Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NC3CC3)n2)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 6/20 0.42
▸ JAK2 O60674 7/20 0.40
▸ TYK2 P29597 7/20 0.40
▸ JAK1 P23458 3/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ NR1H4 Q96RI1 2/20 0.39
▸ PTPRC P08575 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 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
SCHEMBL6606741 0.91 JAK2 (0.43) CRACR2AJAK2TYK2JAK1CDK9
SCHEMBL6619685 0.91 JAK2 (0.43) CRACR2AJAK2TYK2JAK1CDK9
SCHEMBL6617644 0.85 ACKR3 (0.40) CRACR2AJAK2TYK2JAK1CDK9
SCHEMBL6603775 0.85 TYK2 (0.41) CRACR2AJAK2TYK2JAK1CDK9
SCHEMBL6604492 0.85 CRACR2A (0.39) CRACR2AJAK2TYK2JAK1CDK9
SCHEMBL6614768 0.84 PKM (0.43) CRACR2AJAK2JAK1MEN1NPC1
SCHEMBL6617797 0.84 TYK2 (0.42) CRACR2AJAK2TYK2JAK1CDK9
SCHEMBL6620593 0.84 HRH3 (0.39) CRACR2AJAK2TYK2JAK1CDK9
SCHEMBL6622049 0.83 RAB9A (0.39) CRACR2AJAK2TYK2JAK1CDK9
SCHEMBL6615838 0.83 MAPT (0.46) MEN1NPC1RAB9AKMT2AHPGD

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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