SCHEMBL20009427

SCHEMBL20009427

C=CN/N=C(\C=C(/C)N(CCC)CCC)c1cc(C)ccc1C

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
UTS2R Q9UKP6 2/20 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
SCHEMBL20008429 0.73 TP53 (0.40) CYP2D6MEN1KMT2A
SCHEMBL20009603 0.63 MEN1 (0.36) CYP2D6MEN1KMT2AUTS2R
SCHEMBL16956618 0.59 MEN1 (0.42) CYP3A4CYP2D6MEN1KMT2A
SCHEMBL22856978 0.59 MEN1 (0.39) CYP3A4CYP2D6MEN1KMT2A
SCHEMBL19230297 0.58 LMNA (0.37) CYP2C9MEN1KMT2A
SCHEMBL26081524 0.58 SMN1; SMN2 (0.34) MEN1KMT2A
SCHEMBL25464953 0.58 CYP2D6 (0.40) CYP3A4CYP2D6CYP2C9MEN1KMT2A
SCHEMBL20157023 0.57 TP53 (0.35)
SCHEMBL18380832 0.57 GAA (0.46) CYP3A4CYP2D6MEN1KMT2A
SCHEMBL23373396 0.57 TP53 (0.45) KMT2A

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