SCHEMBL3534428

SCHEMBL3534428

COc1cc2c(N(NC(=O)c3ccccc3)c3ccccc3)ncnc2cc1C=CCO

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.45
CSF1R P07333 4/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
AURKB Q96GD4 6/20 0.42
AURKA O14965 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
MAPK14 Q16539 8/20 0.41
KMT2A Q03164 1/20 0.40
RET P07949 1/20 0.39
KIF5B P33176 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL27477737 0.86 CSF1R (0.60) EGFRCSF1RPDGFRBPDGFRAAURKB
SCHEMBL3531811 0.83 AURKB (0.58) EGFRCSF1RPDGFRBPDGFRAAURKB
SCHEMBL3530827 0.83 AURKB (0.61) EGFRCSF1RPDGFRBPDGFRAAURKB
SCHEMBL3529627 0.81 CSF1R (0.53) EGFRCSF1RPDGFRBPDGFRAAURKB
SCHEMBL3533218 0.81 AURKB (0.53) EGFRCSF1RPDGFRBPDGFRAAURKB
Hydrochloric Acid SCHEMBL3533954 0.81 EGFR (0.55) EGFRCSF1RPDGFRBPDGFRAAURKB
SCHEMBL3534089 0.80 EGFR (0.51) EGFRCSF1RPDGFRBPDGFRAAURKB
SCHEMBL3533697 0.80 EGFR (0.51) EGFRCSF1RPDGFRBPDGFRAAURKB
SCHEMBL3627701 0.79 CSF1R (0.45) EGFRCSF1RPDGFRBPDGFRAAURKB
SCHEMBL3528242 0.78 EGFR (0.44) EGFRCSF1RPDGFRBPDGFRAAURKB

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-7709479-B1 Quinazoline derivatives and their use as pharmaceuticals ASTRAZENECA (SE) 2010-05-04 US disclosed