SCHEMBL14138567

SCHEMBL14138567

COC1C=CC(c2nc(C(=O)N3N=C(c4cccnc4)CC3C3=C(O)CCC=C3)cs2)=CC1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 19/20 0.41
▸ PKM P14618 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
SCHEMBL14138564 0.84 BRAF (0.49) BRAFPKM
SCHEMBL14138586 0.84 BRAF (0.51) BRAFPKM
SCHEMBL14138568 0.83 BRAF (0.43) BRAFPKM
SCHEMBL14138811 0.81 BRAF (0.54) BRAFPKM
SCHEMBL14138501 0.72 BRAF (0.51) BRAF
SCHEMBL14138592 0.71 BRAF (0.75) BRAF
SCHEMBL3597006 0.71 BRAF (0.68) BRAFPKM
SCHEMBL14138690 0.71 BRAF (0.56) BRAFPKM
SCHEMBL14138558 0.70 BRAF (0.62) BRAF
SCHEMBL3602586 0.70 BRAF (0.69) BRAFPKM

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-2008079277-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-03 — — WO disclosed
Send feedback