SCHEMBL6609028

SCHEMBL6609028

CCNC(=O)n1nc(-c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2O)cc1C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 12/20 0.43
▸ JAK2 O60674 9/20 0.43
▸ JAK1 P23458 6/20 0.43
▸ CRACR2A Q9BSW2 2/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ ITGB1 P05556 1/20 0.39
▸ ITGA4 P13612 1/20 0.39
▸ NR1H4 Q96RI1 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ PTPRC P08575 1/20 0.37

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
SCHEMBL6620323 0.93 TYK2 (0.41) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6617797 0.93 TYK2 (0.42) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6617161 0.89 ALDH1A1 (0.42) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6618981 0.89 JAK2 (0.40) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6618955 0.89 JAK2 (0.40) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6617735 0.89 PKM (0.42) —
SCHEMBL6605166 0.89 TYK2 (0.43) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6621181 0.88 LMNA (0.40) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6616391 0.88 TYK2 (0.40) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6617159 0.88 JAK2 (0.38) TYK2JAK2JAK1CRACR2ACDK9

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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