SCHEMBL3533697

SCHEMBL3533697

COc1cc2c(N(NC(=O)c3ccccc3)c3ccccc3)ncnc2cc1OCCBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.51
CSF1R P07333 4/20 0.51
AURKB Q96GD4 5/20 0.51
IRAK4 Q9NWZ3 1/20 0.51
PDGFRA P16234 2/20 0.50
PDGFRB P09619 1/20 0.50
AURKA O14965 2/20 0.48
MAPK14 Q16539 5/20 0.46
KDR P35968 5/20 0.46
RET P07949 2/20 0.45
KIF5B P33176 1/20 0.45
ROCK2 O75116 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
MET P08581 1/20 0.44
MAPT P10636 1/20 0.44
SRC P12931 1/20 0.44
LTK P29376 1/20 0.44
TTK P33981 1/20 0.44

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
SCHEMBL3530827 0.92 AURKB (0.61) EGFRCSF1RAURKBIRAK4PDGFRA
SCHEMBL27477737 0.91 CSF1R (0.60) EGFRCSF1RAURKBIRAK4PDGFRA
SCHEMBL3534089 0.91 EGFR (0.51) EGFRCSF1RAURKBIRAK4PDGFRA
SCHEMBL3529627 0.89 CSF1R (0.53) EGFRCSF1RAURKBIRAK4PDGFRA
Hydrochloric Acid SCHEMBL3533954 0.86 EGFR (0.55) EGFRCSF1RAURKBIRAK4PDGFRA
SCHEMBL3531811 0.84 AURKB (0.58) EGFRCSF1RAURKBIRAK4PDGFRA
SCHEMBL3533218 0.84 AURKB (0.53) EGFRCSF1RAURKBPDGFRAPDGFRB
SCHEMBL28842308 0.83 CSF1R (0.53) EGFRCSF1RAURKBPDGFRAPDGFRB
SCHEMBL3531491 0.82 CSF1R (0.49) EGFRCSF1RAURKBIRAK4PDGFRA
SCHEMBL3534428 0.80 EGFR (0.45) EGFRCSF1RAURKBIRAK4PDGFRA

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 3 patents. 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
EP-1218354-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 WO disclosed