SCHEMBL17780372

SCHEMBL17780372

CCOc1ccc(N2C(=O)[C@@H](C)N([C@H]3CC[C@H](C)CC3)c3nc(Nc4cnc5[nH]ncc5c4)ncc32)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.35
RPS6KA3 P51812 2/20 0.35
PTK2 Q05397 2/20 0.35
TNK2 Q07912 2/20 0.35
LRRK2 Q5S007 2/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
PRKACA P17612 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
SCHEMBL17780376 1.00 ALK (0.35) ALKRPS6KA3PTK2TNK2LRRK2
SCHEMBL17780575 0.94 JAK2 (0.36) ALKRPS6KA3PTK2TNK2LRRK2
SCHEMBL17780480 0.93 PLK1 (0.39) BRD4PLK1BRDTPARP1TAF1
SCHEMBL17780482 0.93 PLK1 (0.39) BRD4PLK1BRDTPARP1TAF1
SCHEMBL17780488 0.92 PLK1 (0.35) ALKRPS6KA3PTK2TNK2LRRK2
SCHEMBL17780449 0.91 BRD4 (0.39) LRRK2JAK2BRD4PLK1BRDT
SCHEMBL17780427 0.89 BRD4 (0.38) ALKRPS6KA3PTK2TNK2LRRK2
SCHEMBL17780424 0.89 BRD4 (0.38) ALKRPS6KA3PTK2TNK2LRRK2
SCHEMBL17780532 0.88 BRD4 (0.38) LRRK2BRD4PLK1BRDTPARP1
SCHEMBL17780481 0.86 CDK9 (0.41) ALKRPS6KA3PTK2TNK2LRRK2

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-9351974-B2 Substituted pteridinones for the treatment of cancer OSI Pharmaceuticals, LLC (US) 2016-05-31 US claimed