SCHEMBL13680218

SCHEMBL13680218

COc1cc2ncnc(Oc3cccc(N)c3)c2cc1OCCN1CCC(CO)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.64
RAF1 P04049 10/20 0.64
FLT4 P35916 6/20 0.52
CSF1R P07333 2/20 0.52
PDGFRB P09619 2/20 0.52
FLT3 P36888 2/20 0.52
FGFR2 P21802 1/20 0.51
KDR P35968 5/20 0.51
RET P07949 1/20 0.51
KIF5B P33176 1/20 0.51
EGFR P00533 1/20 0.51
LCK P06239 1/20 0.51
FLT1 P17948 4/20 0.50

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
SCHEMBL13680220 0.90 RAF1 (0.62) BRAFRAF1FLT4CSF1RPDGFRB
SCHEMBL1012845 0.86 BRAF (0.62) BRAFRAF1FLT4CSF1RPDGFRB
SCHEMBL19258207 0.86 RAF1 (0.64) BRAFRAF1FLT4PDGFRBFGFR2
SCHEMBL17278100 0.85 BRAF (0.70) BRAFRAF1FLT4KDRFLT1
SCHEMBL13680227 0.83 BRAF (0.64) BRAFRAF1KDRRETKIF5B
SCHEMBL1015360 0.80 KDM1A (0.66) BRAFRAF1FLT4CSF1RPDGFRB
SCHEMBL1012448 0.80 KDR (0.73) BRAFRAF1FLT4CSF1RPDGFRB
SCHEMBL19258467 0.80 AURKA (0.62) BRAFRAF1FLT4CSF1RPDGFRB
Ammonia Solution, Strong SCHEMBL1010619 0.79 KDM1A (0.65) BRAFRAF1FLT4CSF1RPDGFRB
SCHEMBL13680219 0.79 RAF1 (0.60) BRAFRAF1FLT4CSF1RPDGFRB

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 4 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
EP-2268623-B1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2015-05-06 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