SCHEMBL20008477

SCHEMBL20008477

CC(C)(C#N)c1cc(C(N)=O)ccn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.46
RAF1 P04049 15/20 0.41
BRAF P15056 13/20 0.41
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4B O94953 1/20 0.39
KDM5C P41229 1/20 0.39
KDM5B Q9UGL1 1/20 0.39

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
SCHEMBL3942944 0.86 KDM4C (0.47) RAF1BRAFLMNANPC1RAB9A
SCHEMBL31032276 0.86 KDM4C (0.47) RAF1BRAFLMNANPC1RAB9A
SCHEMBL25701324 0.84 RAF1 (0.41) RAF1BRAFLMNANPC1RAB9A
SCHEMBL11347447 0.82 LMNA (0.56) MYCLMNANPC1RAB9ASMN1; SMN2
SCHEMBL17526117 0.80 LMNA (0.44) MYCLMNANPC1RAB9ASMN1; SMN2
SCHEMBL20008492 0.79 LMNA (0.43) MYCRAF1BRAFLMNANPC1
SCHEMBL25225199 0.79 JMJD6 (0.48) RAF1BRAF
SCHEMBL29537110 0.79 JMJD6 (0.48) RAF1BRAF
SCHEMBL22169023 0.76 ALDH1A1 (0.44) MYCLMNANPC1RAB9ASMN1; SMN2
SCHEMBL9307984 0.76 LMNA (0.42) MYCLMNANPC1RAB9ASMN1; SMN2

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