SCHEMBL7801622

SCHEMBL7801622

COc1cc2cnc(Nc3cccc(OC(F)(F)F)c3)nc2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.60
IGF1R P08069 2/20 0.59
CTSC P53634 1/20 0.55
BRAF P15056 1/20 0.55
EGFR P00533 4/20 0.49
ITK Q08881 3/20 0.49
CDK2 P24941 2/20 0.48
GSK3B P49841 1/20 0.48
MAP4K1 Q92918 1/20 0.48
PIM1 P11309 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
BTK Q06187 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45

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
SCHEMBL7801689 0.84 ABCG2 (0.67) CTSCBRAFEGFRABCG2
SCHEMBL7800595 0.81 LRRK2 (0.46) IGF1REGFRCDK2CCNA2
SCHEMBL7757002 0.80 PDGFRB (0.59) BRAFEGFRCDK2
SCHEMBL7799220 0.80 ABCG2 (0.65) BRAFEGFRABCG2CYP1A2CYP3A4
SCHEMBL7753469 0.80 FGFR1 (0.56) SYKBRAFEGFRCDK2ABCG2
SCHEMBL28221880 0.80 PDGFRB (0.64) SYKBRAFEGFRABCG2CYP1A2
SCHEMBL7800405 0.80 EGFR (0.56) SYKEGFRCDK2ABCG2USP2
SCHEMBL8812882 0.78 PDGFRB (0.57) BRAFEGFRCDK2
SCHEMBL27565491 0.76 KDM4E (0.49) IGF1RBRAFABCG2
SCHEMBL5309393 0.76 RIPK2 (0.57) BRAFEGFRCDK2

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-1162974-A1 QUINAZOLINE FORMULATIONS AND THERAPEUTIC USE THEREOF Parker Hughes Institute (US) 2001-12-19 EP disclosed
WO-2000056338-A1 QUINAZOLINE FORMULATIONS AND THERAPEUTIC USE THEREOF PARKER HUGHES INSTITUTE (US) 2000-09-28 WO disclosed