SCHEMBL17780596

SCHEMBL17780596

C[C@@H]1C(=O)N(c2cccc(C#N)c2)c2cnc(Nc3cc(F)c4[nH]ncc4c3)nc2N1C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.39
TAF1 P21675 1/20 0.39
PARP1 P09874 3/20 0.38
MAPK7 Q13164 1/20 0.38
VRK1 Q99986 6/20 0.37
PLK1 P53350 7/20 0.37
BRDT Q58F21 4/20 0.37
PLK3 Q9H4B4 3/20 0.36
PLK2 Q9NYY3 3/20 0.36
PIP4K2A P48426 1/20 0.36
PIP4K2B P78356 1/20 0.36
MARK3 P27448 1/20 0.35
MARK4 Q96L34 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
SCHEMBL17780337 0.99 BRD4 (0.39) BRD4TAF1PARP1MAPK7VRK1
SCHEMBL17780559 0.95 VRK1 (0.37) BRD4TAF1PARP1MAPK7VRK1
SCHEMBL17780591 0.95 VRK1 (0.37) BRD4TAF1PARP1MAPK7VRK1
SCHEMBL17780556 0.95 VRK1 (0.37) BRD4TAF1PARP1MAPK7VRK1
SCHEMBL17780536 0.94 VRK1 (0.36) BRD4TAF1PARP1VRK1
SCHEMBL17780382 0.93 VRK1 (0.36) BRD4TAF1PARP1VRK1
SCHEMBL16178583 0.93 VRK1 (0.36) BRD4TAF1PARP1VRK1
SCHEMBL17780301 0.93 VRK1 (0.36) BRD4TAF1PARP1VRK1MARK3
SCHEMBL14952337 0.93 BRD4 (0.36) BRD4TAF1PARP1VRK1PLK1
SCHEMBL16186412 0.93 BRD4 (0.36) BRD4TAF1PARP1VRK1PLK1

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