SCHEMBL20008415

SCHEMBL20008415

CC/C(=C\C(=N)c1cc(NC(=O)c2ccnc(C(C)(C)C)c2)ccc1C)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.48
RAF1 P04049 16/20 0.47
BRAF P15056 16/20 0.47
TEK Q02763 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
SCHEMBL20008594 0.75 RAF1 (0.47) RAF1BRAF
SCHEMBL20008387 0.75 RAF1 (0.45) RAF1BRAF
SCHEMBL20008427 0.73 RAF1 (0.48) RAF1BRAF
SCHEMBL20009199 0.73 RAF1 (0.44) RAF1BRAF
SCHEMBL20008226 0.73 RAF1 (0.50) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20008376 0.72 RAF1 (0.42) RAF1BRAF
SCHEMBL20008430 0.70 RAF1 (0.48) RAF1BRAF
SCHEMBL26074344 0.70 LMNA (0.74) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19068912 0.70 BRAF (0.55) LMNANPC1RAB9ASMN1; SMN2RAF1
SCHEMBL25996498 0.69 GSK3B (0.47) RAF1BRAF

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