SCHEMBL4068973

SCHEMBL4068973

Cc1cccc(C)c1C(=O)Nc1ccc(-c2c(Cl)csc2C)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.46
POLB P06746 1/20 0.43
ABL1 P00519 1/20 0.42
SRC P12931 1/20 0.42
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNQ3 O43525 4/20 0.39
KCNQ2 O43526 4/20 0.39
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
ORAI2 Q96SN7 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM1 Q13255 1/20 0.39
GRM4 Q14833 1/20 0.39
LCK P06239 1/20 0.39
MAPK14 Q16539 1/20 0.39
ITGA2 P17301 1/20 0.38

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
SCHEMBL4070581 0.92 POLB (0.46) TYK2POLBABL1SRCNPSR1
SCHEMBL4068779 0.87 NPC1 (0.51) TYK2GRM4RAB9A
SCHEMBL4063151 0.72 P4HTM (0.43) TYK2ABL1SRCPTPN2PTPN1
SCHEMBL4068967 0.72 KCNQ3 (0.43) TYK2POLBABL1SRCKCNQ3
SCHEMBL4247327 0.70 BRAF (0.45) TYK2ABL1SRCKCNQ3KCNQ2
SCHEMBL4061473 0.70 DHODH (0.49) TYK2POLBABL1SRCITGB1
SCHEMBL4061085 0.70 POLB (0.50) TYK2POLBABL1SRCKCNQ3
SCHEMBL4062046 0.68 MAPT (0.54) POLBNPSR1KCNQ3KCNQ2KMT2A
SCHEMBL14667046 0.67 PTGS2 (0.49) TYK2POLBKMT2APTGS2RAB9A
SCHEMBL4061677 0.67 HTR2C (0.53) POLBKMT2ARAB9A

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-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP disclosed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP disclosed