SCHEMBL3391527

SCHEMBL3391527

C1=Cc2cc(-c3ccc(CN4CCOCC4)nc3)nc(Nc3ccc4cn[nH]c4c3)c2CN1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.45
BTK Q06187 5/20 0.45
JAK2 O60674 1/20 0.42
NTRK1 P04629 1/20 0.42
ROS1 P08922 1/20 0.42
CSNK2A2 P19784 1/20 0.42
FLT3 P36888 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
PTK6 Q13882 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
PDGFRB P09619 3/20 0.42
PDGFRA P16234 3/20 0.42
EGFR P00533 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
SCHEMBL3393401 0.80 PIK3CA (0.42) SYKJAK2EGFR
SCHEMBL1048925 0.79 ZAP70 (0.52) SYKBTKJAK2NTRK1ROS1
SCHEMBL3394237 0.79 DYRK1A (0.36) SYKBTKJAK2PDGFRBPDGFRA
SCHEMBL3391477 0.78 SYK (0.38) SYKBTKPDGFRBPDGFRA
SCHEMBL3390916 0.72 ROCK2 (0.41)
SCHEMBL3363319 0.72 SYK (0.44) SYKBTKJAK2NTRK1ROS1
SCHEMBL3362139 0.71 SYK (0.48) SYKBTKJAK2NTRK1ROS1
SCHEMBL3392852 0.71 SYK (0.38) SYK
SCHEMBL3359732 0.71 SYK (0.45) SYKBTKJAK2NTRK1ROS1
SCHEMBL27826732 0.70 RET (0.43) SYKPDGFRBPDGFRAEGFR

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