SCHEMBL20009237

SCHEMBL20009237

Cc1ncc(Nc2ccnc(C(C)(C)C)c2)cc1C(=N)/C=C\C(=N)CC1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.35
BRAF P15056 5/20 0.35
TGFB1 P01137 1/20 0.35
TGFBR1 P36897 8/20 0.34
GRM4 Q14833 1/20 0.33
CAMK1D Q8IU85 1/20 0.32

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
SCHEMBL20008226 0.77 RAF1 (0.50) RAF1BRAF
SCHEMBL18672641 0.63 TGFB1 (0.46) TGFB1TGFBR1
SCHEMBL20009418 0.58 RAF1 (0.43) RAF1BRAF
SCHEMBL22601527 0.57 TGFB1 (0.41) RAF1TGFB1TGFBR1
SCHEMBL6544405 0.56 PRKCI (0.61)
SCHEMBL18672967 0.56 PRKCI (0.41) TGFB1TGFBR1CAMK1D
SCHEMBL20008523 0.55 LMNA (0.34) RAF1BRAF
SCHEMBL24506584 0.54 KDM4E (0.43) TGFB1CAMK1D
SCHEMBL17207212 0.54 LMNA (0.48)
SCHEMBL15071006 0.54 SYK (0.42) TGFB1TGFBR1

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed