SCHEMBL6619381

SCHEMBL6619381

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c(O)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.43
▸ JAK2 O60674 5/20 0.39
▸ TYK2 P29597 5/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ JAK1 P23458 2/20 0.37
▸ CRACR2A Q9BSW2 1/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ CDK9 P50750 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ SSTR3 P32745 4/20 0.36
▸ ALDH2 P05091 2/20 0.35
▸ WDR5 P61964 2/20 0.35
▸ CNR1 P21554 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
SCHEMBL6620593 0.92 HRH3 (0.39) HRH3JAK2TYK2EPHX2JAK1
SCHEMBL6618981 0.92 JAK2 (0.40) HRH3JAK2TYK2JAK1CRACR2A
SCHEMBL6621181 0.91 LMNA (0.40) JAK2TYK2JAK1CRACR2AITGB1
SCHEMBL6618467 0.91 RAB9A (0.39) JAK2TYK2JAK1CRACR2AITGB1
SCHEMBL6617364 0.91 CNR1 (0.42) JAK2TYK2EPHX2JAK1CRACR2A
SCHEMBL6616448 0.90 EPHX2 (0.40) HRH3EPHX2SSTR3CNR1
SCHEMBL6614362 0.89 HRH3 (0.43) HRH3EPHX2SSTR3
SCHEMBL6618339 0.89 ACKR3 (0.44) JAK2TYK2ITGB1ITGA4CNR1
SCHEMBL6617986 0.89 MAPT (0.43) HRH3
SCHEMBL6634119 0.89 CNR1 (0.42) JAK2TYK2EPHX2JAK1CRACR2A

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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