SCHEMBL20008226

SCHEMBL20008226

Cc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1C(=N)/C=C\C(=N)CC1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 17/20 0.50
BRAF P15056 9/20 0.50
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL20009237 0.77 RAF1 (0.35) RAF1BRAF
SCHEMBL20008415 0.73 LMNA (0.49) RAF1BRAFLMNANPC1RAB9A
SCHEMBL26074344 0.70 LMNA (0.74) RAF1BRAFLMNANPC1RAB9A
SCHEMBL19068912 0.69 BRAF (0.55) RAF1BRAFLMNANPC1RAB9A
SCHEMBL20008481 0.68 LMNA (0.54) RAF1BRAFLMNANPC1RAB9A
SCHEMBL20979454 0.68 RAF1 (0.48) RAF1BRAF
SCHEMBL25996498 0.67 GSK3B (0.47) RAF1BRAF
SCHEMBL16034999 0.67 BRAF (1.00) RAF1BRAF
SCHEMBL20008430 0.67 RAF1 (0.48) RAF1BRAF
SCHEMBL16035171 0.67 LMNA (0.61) RAF1BRAFLMNANPC1RAB9A

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