SCHEMBL4072610

SCHEMBL4072610

Cc1cc(Cl)ccc1Oc1ccc(NC(=O)c2c(Cl)cccc2Cl)c(N)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.42
JAK2 O60674 2/20 0.42
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
JAK1 P23458 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 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
SCHEMBL4069795 0.93 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MRGPRX4MEN1POLB
SCHEMBL4070607 0.90 RAB9A (0.41) TYK2JAK2RAB9AALDH1A1NPC1
SCHEMBL4064583 0.88 ALDH1A1 (0.49) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL4065194 0.85 ALDH1A1 (0.58) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL4061218 0.82 GRM8 (0.43) TYK2JAK2RAB9AALDH1A1NPC1
SCHEMBL4061697 0.80 GRM8 (0.55) TYK2JAK2JAK1POLB
SCHEMBL4067700 0.79 ALDH1A1 (0.50) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL4061920 0.75 ALDH1A1 (0.60) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL4066166 0.74 ABL1 (0.48) TYK2JAK2JAK1
SCHEMBL4068452 0.74 CYP3A4 (0.44) ALDH1A1SMN1; SMN2MEN1POLBKMT2A

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