SCHEMBL19916632

SCHEMBL19916632

C=C(Nc1cccc(Oc2ncnc3cc(CC)c(OC)cc23)c1)Nc1cc(C(C)(C)F)no1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.73
RAF1 P04049 8/20 0.67
RIPK2 O43353 1/20 0.54
JAK2 O60674 1/20 0.54
ABL1 P00519 1/20 0.54
EGFR P00533 1/20 0.54
LCK P06239 1/20 0.54
CSF1R P07333 1/20 0.54
LYN P07948 1/20 0.54
RET P07949 1/20 0.54
MET P08581 1/20 0.54
PDGFRB P09619 1/20 0.54
KIT P10721 1/20 0.54
BCR P11274 1/20 0.54
FER P16591 1/20 0.54
FLT1 P17948 1/20 0.54
EPHA2 P29317 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDR P35968 1/20 0.54
MAP2K2 P36507 1/20 0.54

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
SCHEMBL1012975 0.84 BRAF (1.00) BRAFRAF1RIPK2JAK2ABL1
SCHEMBL1013002 0.83 BRAF (0.91) BRAFRAF1
SCHEMBL1011784 0.83 BRAF (0.91) BRAFRAF1
SCHEMBL1012917 0.82 BRAF (0.89) BRAFRAF1RIPK2JAK2ABL1
SCHEMBL1011437 0.81 BRAF (0.89) BRAFRAF1RIPK2JAK2ABL1
SCHEMBL1012501 0.81 BRAF (1.00) BRAFRAF1
SCHEMBL1013797 0.80 BRAF (1.00) BRAFRAF1RIPK2JAK2ABL1
SCHEMBL1012993 0.80 BRAF (1.00) BRAFRAF1
SCHEMBL13680226 0.79 BRAF (0.81) BRAFRAF1KDR
SCHEMBL1011412 0.79 BRAF (1.00) BRAFRAF1RIPK2JAK2ABL1

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
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 EP disclosed