SCHEMBL13148257

SCHEMBL13148257

C=C(C)C(O)c1cccc(Nc2cc(Nc3ccc(Oc4ccccc4)cc3)ncn2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CDK4 P11802 4/20 0.49
EGFR P00533 8/20 0.46
ERBB3 P21860 7/20 0.46
TNNI3K Q59H18 4/20 0.42
SCN9A Q15858 1/20 0.41
CDK2 P24941 3/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
KDR P35968 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL13149406 0.89 MEN1 (0.49) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL12262384 0.86 EGFR (0.49) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL691633 0.85 EGFR (0.47) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL691651 0.78 EGFR (0.56) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL16158635 0.77 EGFR (0.58) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL691344 0.75 MEN1 (0.59) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL691637 0.75 EGFR (0.60) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL691107 0.74 EGFR (0.63) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL3487000 0.73 MEN1 (0.64) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL690740 0.73 EGFR (0.55) MEN1KMT2ANPC1RAB9ACDK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010123870-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-10-28 WO disclosed
WO-2009051822-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-04-23 WO disclosed