SCHEMBL4413312

SCHEMBL4413312

O=C(NCCN1CCOCC1)Oc1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
EGFR P00533 5/20 0.40
WEE1 P30291 1/20 0.40
HTR2A P28223 1/20 0.39
EPHX2 P34913 1/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK10 P53779 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4412966 0.96 EGFR (0.41) EGFRWEE1EPHX2KDM4EKMT2A
SCHEMBL4416339 0.87 KDM4E (0.43) LMNAPDGFRBPDGFRAEGFRWEE1
SCHEMBL4413555 0.86 BRAF (0.38) PDGFRBPDGFRAEGFRWEE1KIT
SCHEMBL4415084 0.84 MAPK10 (0.36) PDGFRBPDGFRAEGFRWEE1KIT
SCHEMBL4412920 0.84 MAPK10 (0.36) PDGFRBPDGFRAEGFRWEE1KIT
SCHEMBL4414542 0.84 KCNH3 (0.39) FLT3MAPK10
SCHEMBL4411774 0.84 MAPK10 (0.36) PDGFRBPDGFRAAURKAAURKBEGFR
SCHEMBL4416830 0.84 BRAF (0.44) AURKAAURKB
SCHEMBL4410707 0.83 TBK1 (0.38) PDGFRBPDGFRAEGFRKITMAPK10
SCHEMBL4418433 0.83 CDK2 (0.47) AURKAAURKBMAPK10MAPK1

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
EP-1615921-B1 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-03-18 EP claimed