SCHEMBL6617587

SCHEMBL6617587

C=CCNC(=O)n1nc(-c2cc(NC(=O)c3c(Cl)cccc3Cl)ccc2O)cc1C1CCC1.CCCNC(=O)n1nc(-c2cc(NC(=O)c3c(Cl)cccc3Cl)ccc2O)cc1C1CCC1.CCNC(=O)n1nc(-c2cc(NC(=O)c3c(Cl)cccc3Cl)ccc2O)cc1C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.36
▸ TYK2 P29597 6/20 0.36
▸ JAK1 P23458 4/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ITGB1 P05556 2/20 0.34
▸ ITGA4 P13612 2/20 0.34
▸ CRACR2A Q9BSW2 1/20 0.34
▸ CDK14 O94921 5/20 0.33
▸ CCNY Q8ND76 5/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CDK9 P50750 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ NR1H4 Q96RI1 3/20 0.32

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
SCHEMBL6617797 0.91 TYK2 (0.42) JAK2TYK2JAK1HPGDITGB1
SCHEMBL6617161 0.87 ALDH1A1 (0.42) JAK2TYK2JAK1ALDH1A1HPGD
SCHEMBL6620323 0.86 TYK2 (0.41) JAK2TYK2JAK1ITGB1ITGA4
SCHEMBL6609028 0.84 TYK2 (0.43) JAK2TYK2JAK1HPGDITGB1
SCHEMBL6616450 0.84 POLB (0.36) JAK2TYK2JAK1ALDH1A1ITGB1
SCHEMBL6618849 0.82 CHRM5 (0.40) CRACR2ANPC1RAB9A
SCHEMBL6616958 0.81 ALDH1A1 (0.39) JAK2ALDH1A1HPGDCRACR2AMEN1
SCHEMBL6603775 0.81 TYK2 (0.41) JAK2TYK2JAK1ITGB1ITGA4
SCHEMBL6615827 0.80 RAB9A (0.38) CRACR2AMEN1NPC1RAB9AKMT2A
SCHEMBL6617216 0.80 HPGD (0.43) ALDH1A1HPGDCRACR2ARAB9A

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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