SCHEMBL3391477

SCHEMBL3391477

CC(C)(O)c1ccc(-c2cc3c(c(Nc4ccc5cn[nH]c5c4)n2)CNC=C3)cn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.38
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
BTK Q06187 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
RET P07949 1/20 0.35
KDR P35968 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
EIF2AK2 P19525 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
SCHEMBL3392852 0.93 SYK (0.38) SYKTRPV1
SCHEMBL3391527 0.78 SYK (0.45) SYKBTKPDGFRBPDGFRA
SCHEMBL1044891 0.76 ZAP70 (0.48) SYKRETKDREIF2AK2
SCHEMBL27826732 0.75 RET (0.43) SYKRAF1BRAFRETKDR
SCHEMBL3362139 0.73 SYK (0.48) SYKBTKPDGFRBPDGFRA
SCHEMBL3394237 0.73 DYRK1A (0.36) SYKBTKPDGFRBPDGFRA
SCHEMBL1047845 0.69 ZAP70 (0.48) SYK
SCHEMBL3392219 0.69 CDK5 (0.41) SYK
SCHEMBL3390916 0.66 ROCK2 (0.41)
SCHEMBL1159874 0.66 ZAP70 (0.37) SYK

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