SCHEMBL9116002

SCHEMBL9116002

COc1cc2c(N3CCc4ccc(Cl)cc43)ncnc2cc1OC(C)COS(C)(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.54
CSF1R P07333 1/20 0.53
RET P07949 2/20 0.45
KIF5B P33176 1/20 0.45
KDR P35968 1/20 0.45
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
KIT P10721 2/20 0.42
PDGFRB P09619 5/20 0.41
PDGFRA P16234 3/20 0.41
ENPP1 P22413 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE10A Q9Y233 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 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
SCHEMBL9115998 0.89 EGFR (0.54) EGFRCSF1RRETKIF5BKDR
SCHEMBL8647397 0.87 EGFR (0.57) EGFRCSF1RRETKIF5BKDR
SCHEMBL8647393 0.86 EGFR (0.56) EGFRCSF1RRETKIF5BKDR
SCHEMBL8652546 0.86 EGFR (0.56) EGFRCSF1RRETKIF5BKDR
SCHEMBL8649465 0.85 EGFR (0.53) EGFRCSF1RRETKIF5BKDR
SCHEMBL8649000 0.84 EGFR (0.73) EGFRCSF1RRETKIF5BKDR
SCHEMBL8652543 0.84 EGFR (0.54) EGFRCSF1RRETKIF5BKDR
SCHEMBL8649464 0.83 EGFR (0.53) EGFRCSF1RRETKIF5BKDR
SCHEMBL9115373 0.83 EGFR (0.56) EGFRCSF1RRETKIF5BKDR
SCHEMBL8649463 0.82 EGFR (0.53) EGFRCSF1RRETKIF5BKDR

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
WO-1995023141-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1995-08-31 WO disclosed