SCHEMBL6618467

SCHEMBL6618467

O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(F)cc3)n2)c(O)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ JAK2 O60674 3/20 0.39
▸ TYK2 P29597 3/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CRACR2A Q9BSW2 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ ALDH2 P05091 1/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ SLC13A5 Q86YT5 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ PPARG P37231 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
SCHEMBL6617364 0.93 CNR1 (0.42) RAB9ACNR1JAK2TYK2CRACR2A
SCHEMBL6618981 0.93 JAK2 (0.40) CNR1JAK2TYK2CRACR2AJAK1
SCHEMBL6622049 0.92 RAB9A (0.39) RAB9AJAK2TYK2MEN1KMT2A
SCHEMBL6621181 0.92 LMNA (0.40) RAB9AJAK2TYK2MEN1KMT2A
SCHEMBL6634119 0.91 CNR1 (0.42) RAB9ACNR1JAK2TYK2CRACR2A
SCHEMBL6619381 0.91 HRH3 (0.43) CNR1JAK2TYK2CRACR2AALDH2
SCHEMBL6618339 0.90 ACKR3 (0.44) RAB9ACNR1JAK2TYK2MEN1
SCHEMBL6621094 0.90 PPARG (0.43) RAB9ACNR1MEN1KMT2AALDH1A1
SCHEMBL6616478 0.88 ACKR3 (0.44) RAB9ACNR1MEN1KMT2AALDH1A1
SCHEMBL6615258 0.88 CNR1 (0.41) RAB9ACNR1JAK2TYK2CRACR2A

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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