SCHEMBL6620593

SCHEMBL6620593

O=C(Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.39
▸ CRACR2A Q9BSW2 4/20 0.39
▸ TYK2 P29597 5/20 0.36
▸ JAK2 O60674 4/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ ALDH2 P05091 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.34
▸ ACKR3 P25106 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL6619381 0.92 HRH3 (0.43) HRH3CRACR2ATYK2JAK2JAK1
SCHEMBL6622049 0.91 RAB9A (0.39) CRACR2ATYK2JAK2JAK1CDK9
SCHEMBL6617954 0.91 EPHX2 (0.40) CRACR2ATYK2JAK2JAK1CDK9
SCHEMBL6618429 0.89 ACKR3 (0.44) TYK2CNR1RAB9AACKR3MAPT
SCHEMBL6617644 0.89 ACKR3 (0.40) CRACR2ATYK2JAK2JAK1CDK9
SCHEMBL6617910 0.88 MEN1 (0.48) RAB9AMAPT
SCHEMBL6618795 0.88 HRH3 (0.40) HRH3EPHX2CNR1RAB9AACKR3
SCHEMBL6614083 0.87 GRM1 (0.39) HRH3EPHX2CNR1RAB9AMAPT
SCHEMBL6617392 0.86 MEN1 (0.41) HRH3RAB9AACKR3MAPT
SCHEMBL6683281 0.86 MAPT (0.40) HRH3CRACR2AEPHX2CNR1RAB9A

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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