SCHEMBL3392852

SCHEMBL3392852

CC(C)(O)c1ccc(-c2cc3c(c(Nc4ccc5[nH]ncc5c4)n2)CNC=C3)cn1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.38
MKNK1 Q9BUB5 4/20 0.38
ROCK2 O75116 6/20 0.38
HSF1 Q00613 1/20 0.37
ROCK1 Q13464 2/20 0.37
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL3391477 0.93 SYK (0.38) SYKTRPV1
SCHEMBL1047845 0.76 ZAP70 (0.48) SYKMKNK1ROCK1
SCHEMBL3390916 0.73 ROCK2 (0.41) ROCK2ROCK1
SCHEMBL3393401 0.71 PIK3CA (0.42) SYKROCK2ROCK1
SCHEMBL3391527 0.71 SYK (0.45) SYK
SCHEMBL1044891 0.69 ZAP70 (0.48) SYKROCK2ROCK1
SCHEMBL3392219 0.69 CDK5 (0.41) SYK
SCHEMBL3362139 0.68 SYK (0.48) SYK
SCHEMBL27826732 0.68 RET (0.43) SYK
SCHEMBL3394237 0.66 DYRK1A (0.36) SYKROCK2ROCK1

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-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed