SCHEMBL8648564

SCHEMBL8648564

COc1cc2ncnc(N3CCc4c(Br)ccc(C)c43)c2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.57
KIF5B P33176 1/20 0.57
KDR P35968 1/20 0.57
EGFR P00533 2/20 0.55
CSF1R P07333 1/20 0.54
ACHE P22303 10/20 0.51
BACE1 P56817 10/20 0.51
PDE10A Q9Y233 2/20 0.47
PDGFRB P09619 3/20 0.45
KIT P10721 2/20 0.44
PDGFRA P16234 1/20 0.44
FLT3 P36888 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
SCHEMBL8649529 0.86 EGFR (0.44) RETKIF5BKDREGFRCSF1R
SCHEMBL8650905 0.83 EGFR (0.61) RETKIF5BKDREGFRCSF1R
SCHEMBL4985565 0.82 RET (0.78) RETKIF5BKDREGFRCSF1R
SCHEMBL7663523 0.82 RET (0.37) RETKIF5BKDREGFRCSF1R
Hydrochloric Acid SCHEMBL7543133 0.81 RET (0.36) RETKIF5BKDREGFRCSF1R
SCHEMBL8649187 0.81 EGFR (0.71) RETKIF5BKDREGFRCSF1R
SCHEMBL5463594 0.78 RET (0.79) RETKIF5BKDREGFRCSF1R
SCHEMBL8652299 0.78 RET (0.78) RETKIF5BKDREGFRCSF1R
SCHEMBL9115975 0.77 EGFR (0.59) RETKIF5BKDREGFRCSF1R
SCHEMBL4794203 0.76 RET (0.67) RETKIF5BKDREGFRCSF1R

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