SCHEMBL13680227

SCHEMBL13680227

COc1cc2ncnc(Sc3cccc(N)c3)c2cc1OCCN1CCC(CO)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.64
RAF1 P04049 15/20 0.64
RET P07949 1/20 0.52
KIF5B P33176 1/20 0.52
KDR P35968 1/20 0.52
EGFR P00533 1/20 0.49
LCK P06239 1/20 0.49

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
SCHEMBL16692928 0.93 BRAF (0.56) BRAFRAF1RETKIF5BKDR
SCHEMBL13680228 0.90 BRAF (0.62) BRAFRAF1RETKIF5BKDR
SCHEMBL19916608 0.88 RAF1 (0.60) BRAFRAF1RETKIF5BKDR
SCHEMBL19258530 0.88 RAF1 (0.60) BRAFRAF1RETKIF5BKDR
SCHEMBL13680209 0.86 RET (0.52) BRAFRAF1RETKIF5BKDR
SCHEMBL19258524 0.86 BRAF (0.64) BRAFRAF1RETKIF5BKDR
SCHEMBL16692921 0.86 BRAF (0.54) BRAFRAF1RETKIF5BKDR
SCHEMBL16692920 0.85 BRAF (0.71) BRAFRAF1
SCHEMBL19258533 0.84 BRAF (0.66) BRAFRAF1RETKIF5BKDR
SCHEMBL13680218 0.83 BRAF (0.64) BRAFRAF1RETKIF5BKDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3147281-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2017-03-29 EP disclosed
EP-2947072-A1 1-(3-(6,7-DIMETHOXYQUINAZOLIN-4-YLOXY)PHENYL)-3-(5-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)ISOXAZOL-3-YL)UREA AS RAF KINASE MODULATOR IN THE TREATMENT OF CANCER DISEASES Ambit Biosciences Corporation (US) 2015-11-25 EP disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed