SCHEMBL16760445

SCHEMBL16760445

COc1cc2ncnc(Nc3cccc(O)c3C(F)(F)F)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 15/20 1.00
KIF5B P33176 11/20 0.74
KDR P35968 11/20 0.74
EGFR P00533 4/20 0.69
FLT1 P17948 3/20 0.63
ABCG2 Q9UNQ0 1/20 0.61
FGFR1 P11362 2/20 0.58
CDK2 P24941 1/20 0.58
PIK3R1 P27986 1/20 0.58
EPHB2 P29323 1/20 0.58
TTBK1 Q5TCY1 1/20 0.58

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
SCHEMBL16760370 0.85 RET (1.00) RETKIF5BKDREGFRFLT1
SCHEMBL5864594 0.85 RET (1.00) RETKIF5BKDREGFRFLT1
SCHEMBL7076160 0.85 RET (1.00) RETKIF5BKDREGFRFLT1
SCHEMBL16785515 0.84 RET (1.00) RETKIF5BKDREGFRFLT1
SCHEMBL16760418 0.84 RET (1.00) RETKIF5BKDREGFRFLT1
Hydrochloric Acid SCHEMBL16760376 0.83 RET (0.98) RETKIF5BKDREGFRFLT1
SCHEMBL16760410 0.83 RET (1.00) RETKIF5BKDREGFRFLT1
Hydrochloric Acid SCHEMBL16760380 0.82 RET (0.98) RETKIF5BKDREGFRFLT1
SCHEMBL5864606 0.81 EGFR (1.00) RETKIF5BKDREGFRFLT1
SCHEMBL22427658 0.81 RET (0.68) RETKIF5BKDREGFRFLT1

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