SCHEMBL8647397

SCHEMBL8647397

COc1cc2c(N3CCc4ccc(Cl)cc43)ncnc2cc1OCCOS(C)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.57
CSF1R P07333 1/20 0.56
KDR P35968 3/20 0.47
RET P07949 2/20 0.47
KIF5B P33176 1/20 0.47
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
KIT P10721 1/20 0.45
PDGFRB P09619 5/20 0.43
PDGFRA P16234 3/20 0.43
KDM1A O60341 1/20 0.43
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL8652546 0.96 EGFR (0.56) EGFRCSF1RKDRRETKIF5B
SCHEMBL8647215 0.91 EGFR (0.56) EGFRCSF1RKDRRETKIF5B
SCHEMBL9115373 0.89 EGFR (0.56) EGFRCSF1RKDRRETKIF5B
SCHEMBL8649611 0.88 EGFR (0.52) EGFRCSF1RKDRRETKIF5B
SCHEMBL8649000 0.87 EGFR (0.73) EGFRCSF1RKDRRETKIF5B
SCHEMBL9116002 0.87 EGFR (0.54) EGFRCSF1RKDRRETKIF5B
SCHEMBL8645752 0.87 EGFR (0.62) EGFRCSF1RKDRRETKIF5B
SCHEMBL9115449 0.86 EGFR (0.58) EGFRCSF1RKDRRETKIF5B
SCHEMBL8649464 0.86 EGFR (0.53) EGFRCSF1RKDRRETKIF5B
SCHEMBL8649463 0.84 EGFR (0.53) EGFRCSF1RKDRRETKIF5B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5736534-A HYPERPROLIFERATIVE DISEASES; INHIBITORS OF PROTEIN-TYROSINE KINASES SUCH AS EPIDERMAL GROWTH FACTOR RECEPTOR; BRAIN, LUNG, BREAST CANCER; PSORIASIS AND BENIGN PROSTATE HYPERPLASIA PFIZER INC. (US) 1998-04-07 US disclosed
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