SCHEMBL16760370

SCHEMBL16760370

COc1cc2ncnc(Nc3cccc(O)c3F)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 16/20 1.00
KIF5B P33176 12/20 1.00
KDR P35968 12/20 1.00
FLT1 P17948 2/20 0.70
EGFR P00533 3/20 0.69
MAPK14 Q16539 1/20 0.67
FGFR1 P11362 1/20 0.65

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
SCHEMBL16760412 0.92 RET (0.84) RETKIF5BKDRFLT1EGFR
SCHEMBL5864594 0.88 RET (1.00) RETKIF5BKDRFLT1EGFR
SCHEMBL7076160 0.88 RET (1.00) RETKIF5BKDRFLT1EGFR
SCHEMBL16760418 0.87 RET (1.00) RETKIF5BKDRFLT1EGFR
SCHEMBL16785515 0.87 RET (1.00) RETKIF5BKDRFLT1EGFR
SCHEMBL10100955 0.86 KDR (0.75) RETKIF5BKDRFLT1EGFR
SCHEMBL16760410 0.86 RET (1.00) RETKIF5BKDRFLT1EGFR
Hydrochloric Acid SCHEMBL16760376 0.86 RET (0.98) RETKIF5BKDRFLT1EGFR
SCHEMBL16760445 0.85 RET (1.00) RETKIF5BKDRFLT1EGFR
Hydrochloric Acid SCHEMBL16760380 0.85 RET (0.98) RETKIF5BKDRFLT1EGFR

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
WO-2015079251-A1 QUINAZOLINE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-06-04 WO claimed
WO-2015079251-A1 QUINAZOLINE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-06-04 WO disclosed