SCHEMBL2580765

SCHEMBL2580765

Oc1ccc(Cl)c(-c2ccc3nc(Nc4ccc(OCCC5CCCCCN5)cc4)ncc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.46
SSTR2 P30874 9/20 0.45
BRAF P15056 5/20 0.45
YES1 P07947 2/20 0.44
PDGFRB P09619 2/20 0.44
ABL1 P00519 2/20 0.44
CIT O14578 1/20 0.44
GAK O14976 1/20 0.44
EPHB6 O15197 1/20 0.44
RIPK2 O43353 1/20 0.44
PRKD3 O94806 1/20 0.44
LCK P06239 1/20 0.44
RET P07949 1/20 0.44
BCR P11274 1/20 0.44
EPHA2 P29317 1/20 0.44
EPHB2 P29323 1/20 0.44
TYK2 P29597 1/20 0.44
KDR P35968 1/20 0.44
ACVR1B P36896 1/20 0.44
TGFBR1 P36897 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
SCHEMBL226245 0.82 SRC (0.67) SRCBRAFYES1PDGFRBABL1
SCHEMBL229860 0.81 BRAF (0.68) SRCBRAFYES1PDGFRBABL1
SCHEMBL2582023 0.79 SRC (0.53) SRCBRAFYES1PDGFRBABL1
SCHEMBL2594604 0.75 SRC (0.48) SRCBRAFYES1PDGFRBABL1
SCHEMBL40934 0.73 SYK (0.47) SRCBRAFABL1KDR
SCHEMBL229387 0.71 BRAF (0.43) SRCBRAFYES1PDGFRBABL1
SCHEMBL229386 0.71 BRAF (0.43) SRCBRAFYES1PDGFRBABL1
SCHEMBL42013 0.71 BRAF (0.43) SRCBRAFPDGFRBABL1
SCHEMBL2576460 0.71 BRAF (0.41) SRCBRAFYES1PDGFRBABL1
SCHEMBL41314 0.71 BRAF (0.42) SRCBRAFPDGFRBABL1

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
EP-2381943-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS Fovea Pharmaceuticals (FR) 2011-11-02 EP disclosed
WO-2010076238-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS FOVEA PHARMACEUTICALS SA (FR) 2010-07-08 WO disclosed