SCHEMBL20008136

SCHEMBL20008136

C=C(Nc1cnc(C)c(-c2ccnc(N(CC)CCCCC)c2)c1)c1cccc(SC)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 14/20 0.33
BRAF P15056 13/20 0.33
ABL1 P00519 1/20 0.30

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
SCHEMBL23677290 0.63 MEN1 (0.46)
SCHEMBL20825883 0.61 NAAA (0.46)
SCHEMBL20008808 0.61 RAF1 (0.32) RAF1BRAF
SCHEMBL22561899 0.59 ADCY1 (0.37) RAF1BRAFABL1
SCHEMBL25739849 0.57 SMN1; SMN2 (0.62)
SCHEMBL23677135 0.57 KMT2A (0.34)
SCHEMBL6923831 0.57 DYRK1A (0.42)
SCHEMBL11345038 0.56 CDK1 (0.33)
SCHEMBL11350048 0.56 NPC1 (0.46)
SCHEMBL23654524 0.55

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