SCHEMBL14219013

SCHEMBL14219013

C=C(Nc1ccc(C)c(Nc2cc(C)nn2-c2cc(NCCN(C)C)ncn2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.52
RAF1 P04049 4/20 0.47
ARAF P10398 4/20 0.47
INSR P06213 3/20 0.41
LCK P06239 3/20 0.41
LYN P07948 3/20 0.41
HCK P08631 3/20 0.41
SRC P12931 3/20 0.41
KDR P35968 3/20 0.41

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
SCHEMBL3597698 0.93 BRAF (0.55) BRAFRAF1ARAFINSRLCK
SCHEMBL3594600 0.80 BRAF (0.60) BRAFRAF1ARAFKDR
SCHEMBL3580497 0.79 BRAF (0.60) BRAFRAF1ARAFKDR
SCHEMBL3589071 0.77 BRAF (0.64) BRAFRAF1ARAF
SCHEMBL3584690 0.76 LCK (0.64) BRAFINSRLCKLYNHCK
SCHEMBL3596608 0.76 LCK (0.49) BRAFRAF1ARAFINSRLCK
SCHEMBL3583251 0.76 BRAF (0.55) BRAFRAF1ARAFKDR
SCHEMBL14218753 0.76 KDR (0.36) BRAFRAF1INSRLCKLYN
SCHEMBL9970921 0.73 BRAF (0.51) BRAFRAF1ARAFINSRLCK
SCHEMBL3580748 0.73 BRAF (0.51) BRAFRAF1ARAFKDR

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
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO disclosed