SCHEMBL14044140

SCHEMBL14044140

Cc1cc(C(=O)c2[nH]nc(C)c2Cl)ccn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 1/20 0.38
▸ SMARCA2 P51531 1/20 0.38
▸ SMARCA4 P51532 1/20 0.38
▸ PROKR1 Q8TCW9 2/20 0.35
▸ CCNC P24863 2/20 0.35
▸ CDK8 P49336 2/20 0.35
▸ MAPK1 P28482 6/20 0.34
▸ MAPK3 P27361 4/20 0.34
▸ SORT1 Q99523 1/20 0.34
▸ UHRF1 Q96T88 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33

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
SCHEMBL14139367 0.80 ALDH1A1 (0.34) CCR9PROKR1CCNCCDK8MAPK1
SCHEMBL14043920 0.78 HDAC1 (0.44) CCR9MAPK1
SCHEMBL3356107 0.76 UHRF1 (0.50) CCR9SMARCA2SMARCA4PROKR1CCNC
SCHEMBL14044077 0.72 DAO (0.50) UHRF1
SCHEMBL829075 0.69 UHRF1 (0.46) CCR9SMARCA2SMARCA4PROKR1CCNC
SCHEMBL16139761 0.68 KMT2A (0.57) MAPK1
Hydrochloric Acid SCHEMBL4416579 0.68 UHRF1 (0.45) CCR9SMARCA2SMARCA4PROKR1CCNC
SCHEMBL16200404 0.68 POLB (0.43) CCR9SMARCA2SMARCA4PROKR1
SCHEMBL31386781 0.67 HCAR2 (0.39) PDE4D
SCHEMBL14879418 0.67 HCAR2 (0.48) MAPK1PDE4D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435830-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 — — US disclosed
Send feedback