SCHEMBL6617364

SCHEMBL6617364

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3cccc(F)c3)n2)c(O)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ JAK2 O60674 4/20 0.38
▸ TYK2 P29597 3/20 0.38
▸ SCD O00767 1/20 0.38
▸ SCD5 Q86SK9 1/20 0.38
▸ NAMPT P43490 2/20 0.38
▸ CRACR2A Q9BSW2 3/20 0.37
▸ JAK1 P23458 2/20 0.36
▸ KCNJ6 P48051 1/20 0.36
▸ KCNJ5 P48544 1/20 0.36
▸ KCNJ3 P48549 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ JAK3 P52333 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
SCHEMBL6634119 0.98 CNR1 (0.42) CNR1EPHX2DPP4JAK2TYK2
SCHEMBL6618467 0.93 RAB9A (0.39) CNR1JAK2TYK2CRACR2AJAK1
SCHEMBL6617954 0.92 EPHX2 (0.40) CNR1EPHX2DPP4JAK2TYK2
SCHEMBL6618981 0.92 JAK2 (0.40) CNR1JAK2TYK2CRACR2AJAK1
SCHEMBL6618100 0.91 CNR1 (0.41) CNR1EPHX2DPP4NAMPTKCNJ6
SCHEMBL6619381 0.91 HRH3 (0.43) CNR1EPHX2JAK2TYK2CRACR2A
SCHEMBL6614980 0.89 CNR1 (0.42) CNR1EPHX2DPP4NAMPTKCNJ6
SCHEMBL6621361 0.89 JAK2 (0.43) CNR1JAK2NAMPTPOLBSMN1; SMN2
SCHEMBL6621181 0.88 LMNA (0.40) JAK2TYK2CRACR2AJAK1NPC1
SCHEMBL6603139 0.88 BRAF (0.40) CNR1EPHX2DPP4NAMPTKCNJ6

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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