SCHEMBL545856

SCHEMBL545856

CNC(=O)c1cc(Oc2ccc3c(c2)CC(C(=O)Nc2cc(C(F)(F)F)ccc2OCCN2CCNCC2)CC3)ccn1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 16/20 0.59
BRAF P15056 13/20 0.59
DDR2 Q16832 1/20 0.53
KDR P35968 2/20 0.45
SRC P12931 1/20 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
SCHEMBL546766 0.94 RAF1 (0.61) RAF1BRAFDDR2KDRSRC
SCHEMBL10199990 0.87 RAF1 (0.64) RAF1BRAFDDR2KDRSRC
SCHEMBL545489 0.87 BRAF (0.48) RAF1BRAFDDR2KDR
SCHEMBL10262295 0.85 RAF1 (0.56) RAF1BRAFDDR2KDRSRC
SCHEMBL14453616 0.83 RAF1 (0.70) RAF1BRAFDDR2KDRSRC
SCHEMBL545800 0.82 BRAF (0.72) RAF1BRAFKDRSRC
SCHEMBL545570 0.81 DDR2 (0.53) RAF1BRAFDDR2KDRSRC
SCHEMBL169261 0.81 DDR2 (0.74) RAF1BRAFDDR2KDRSRC
SCHEMBL546023 0.80 BRAF (0.65) RAF1BRAFDDR2KDRSRC
SCHEMBL10200309 0.80 BRAF (0.78) RAF1BRAFDDR2KDRSRC

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
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US claimed