SCHEMBL4021795

SCHEMBL4021795

COc1cc2c(Nc3c(Cl)cc(C#Cc4ccccn4)c4c3OCO4)ncnc2cc1OCCCN1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 0.56
KDR P35968 11/20 0.55
CSK P41240 3/20 0.55
TEK Q02763 3/20 0.55
EPHB4 P54760 1/20 0.55
ATM Q13315 1/20 0.48
EGFR P00533 4/20 0.47

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
SCHEMBL4023215 1.00 SRC (0.56) SRCKDRCSKTEKEPHB4
SCHEMBL4027646 0.90 SRC (0.69) SRCKDRCSKTEKEPHB4
SCHEMBL4021611 0.89 SRC (0.54) SRCKDRCSKTEKEPHB4
SCHEMBL4026483 0.88 SRC (0.58) SRCKDRCSKTEKEPHB4
SCHEMBL4559273 0.88 SRC (0.58) SRCKDRCSKTEKEPHB4
SCHEMBL4025613 0.87 SRC (0.56) SRCKDRCSKTEKEPHB4
SCHEMBL4023374 0.87 KDR (0.55) SRCKDRCSKTEKEPHB4
SCHEMBL4023066 0.84 SRC (0.52) SRCKDRCSKTEKEPHB4
SCHEMBL4023490 0.84 SRC (0.62) SRCKDRCSKTEKEPHB4
SCHEMBL4023498 0.84 SRC (0.62) SRCKDRCSKTEKEPHB4

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-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP claimed