SCHEMBL3530827

SCHEMBL3530827

COc1cc2c(N(NC(=O)c3ccccc3)c3ccccc3)ncnc2cc1OCCO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 5/20 0.61
IRAK4 Q9NWZ3 1/20 0.61
EGFR P00533 11/20 0.52
CSF1R P07333 4/20 0.52
PDGFRA P16234 2/20 0.51
PDGFRB P09619 1/20 0.51
AURKA O14965 2/20 0.48
MAPK14 Q16539 6/20 0.47
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
SCHEMBL27477737 0.92 CSF1R (0.60) AURKBIRAK4EGFRCSF1RPDGFRA
SCHEMBL3534089 0.92 EGFR (0.51) AURKBIRAK4EGFRCSF1RPDGFRA
SCHEMBL3533697 0.92 EGFR (0.51) AURKBIRAK4EGFRCSF1RPDGFRA
SCHEMBL3529627 0.90 CSF1R (0.53) AURKBIRAK4EGFRCSF1RPDGFRA
Hydrochloric Acid SCHEMBL3533954 0.87 EGFR (0.55) AURKBIRAK4EGFRCSF1RPDGFRA
SCHEMBL3531811 0.85 AURKB (0.58) AURKBIRAK4EGFRCSF1RPDGFRA
SCHEMBL3533218 0.85 AURKB (0.53) AURKBEGFRCSF1RPDGFRAPDGFRB
SCHEMBL28842308 0.84 CSF1R (0.53) AURKBEGFRCSF1RPDGFRAPDGFRB
SCHEMBL3531491 0.83 CSF1R (0.49) AURKBIRAK4EGFRCSF1RPDGFRA
SCHEMBL3534428 0.83 EGFR (0.45) AURKBIRAK4EGFRCSF1RPDGFRA

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