SCHEMBL545489

SCHEMBL545489

O=C(Nc1cc(C(F)(F)F)ccc1OCCN1CCNCC1)C1CCc2ccc(Oc3ccnc(C4=NCCN4)c3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.48
RAF1 P04049 13/20 0.48
KDR P35968 6/20 0.39
DDR2 Q16832 1/20 0.38

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
SCHEMBL545856 0.87 RAF1 (0.59) BRAFRAF1KDRDDR2
SCHEMBL546196 0.84 BRAF (0.54) BRAFRAF1KDR
SCHEMBL546534 0.83 BRAF (0.56) BRAFRAF1KDR
SCHEMBL546766 0.81 RAF1 (0.61) BRAFRAF1KDRDDR2
SCHEMBL10200174 0.80 RAF1 (0.57) BRAFRAF1KDR
SCHEMBL545697 0.80 BRAF (0.58) BRAFRAF1KDR
SCHEMBL546137 0.76 BRAF (0.61) BRAFRAF1KDR
SCHEMBL545483 0.76 HTR2A (0.44) KDR
SCHEMBL545253 0.76 BRAF (0.58) BRAFRAF1KDR
SCHEMBL10262926 0.75 BRAF (0.47) BRAFRAF1KDR

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