SCHEMBL6620323

SCHEMBL6620323

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 11/20 0.41
▸ JAK2 O60674 8/20 0.41
▸ JAK1 P23458 4/20 0.39
▸ CRACR2A Q9BSW2 2/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ NR1H4 Q96RI1 2/20 0.37
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ PTPRC P08575 1/20 0.36
▸ F2R P25116 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ KCNH2 Q12809 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
SCHEMBL6609028 0.93 TYK2 (0.43) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6631319 0.89 JAK2 (0.39) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6615953 0.89 CHRM5 (0.41) F2R
SCHEMBL6618981 0.87 JAK2 (0.40) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6618955 0.87 JAK2 (0.40) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6617161 0.87 ALDH1A1 (0.42) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6618025 0.87 CHRM5 (0.42) CRACR2AF2R
SCHEMBL6605166 0.87 TYK2 (0.43) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6621181 0.87 LMNA (0.40) TYK2JAK2JAK1CRACR2ACDK9
SCHEMBL6616391 0.87 TYK2 (0.40) 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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