SCHEMBL6617954

SCHEMBL6617954

O=C(Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCc3cccc(F)c3)n2)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ CRACR2A Q9BSW2 6/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ KCNJ6 P48051 2/20 0.38
▸ KCNJ5 P48544 2/20 0.38
▸ KCNJ3 P48549 2/20 0.38
▸ NAMPT P43490 2/20 0.38
▸ JAK2 O60674 2/20 0.36
▸ CHRNE Q04844 1/20 0.36
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL6622049 0.93 RAB9A (0.39) CRACR2AKCNJ6KCNJ5KCNJ3JAK2
SCHEMBL6617364 0.92 CNR1 (0.42) EPHX2DPP4CRACR2ACNR1KCNJ6
SCHEMBL6634119 0.92 CNR1 (0.42) EPHX2DPP4CRACR2ACNR1KCNJ6
SCHEMBL6620593 0.91 HRH3 (0.39) EPHX2CRACR2ACNR1JAK2JAK1
SCHEMBL6614980 0.88 CNR1 (0.42) EPHX2DPP4CNR1KCNJ6KCNJ5
SCHEMBL6622320 0.88 MAPT (0.42) —
SCHEMBL6617644 0.87 ACKR3 (0.40) CRACR2ACNR1KCNJ6KCNJ5KCNJ3
SCHEMBL6616846 0.86 NAMPT (0.42) NAMPTJAK2CHRNEPTGDR2
SCHEMBL6618429 0.86 ACKR3 (0.44) CNR1TYK2
SCHEMBL6616321 0.86 CHRNE (0.38) EPHX2KCNJ6KCNJ5KCNJ3NAMPT

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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