SCHEMBL2179743

SCHEMBL2179743

CCNc1cc(Nc2ccc(Oc3ccccc3)cc2)ncn1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
EGFR P00533 7/20 0.56
ERBB3 P21860 5/20 0.53
SCN9A Q15858 2/20 0.50
CDK4 P11802 2/20 0.50
KDR P35968 2/20 0.47
TEK Q02763 1/20 0.47
RIPK2 O43353 1/20 0.46
EPHB2 P29323 1/20 0.46
BRAF P15056 1/20 0.44
MAPK14 Q16539 1/20 0.44
TNNI3K Q59H18 1/20 0.44
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
SCN5A Q14524 1/20 0.44
CDK2 P24941 1/20 0.43

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
SCHEMBL2176219 0.87 EGFR (0.67) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL12486513 0.84 MEN1 (0.79) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL2177484 0.84 EGFR (0.57) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL3487003 0.81 MEN1 (0.61) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL3487000 0.80 MEN1 (0.64) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL30046349 0.80 SCN9A (0.76) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL2174012 0.78 SCN9A (0.61) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL30748838 0.78 MEN1 (0.54) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL12262542 0.77 MEN1 (0.57) MEN1KMT2ANPC1RAB9AEGFR
SCHEMBL12262439 0.77 EGFR (0.67) MEN1KMT2ANPC1RAB9AEGFR

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
EP-2519501-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS Technische Universität Wien (AT) 2012-11-07 EP disclosed
WO-2011079343-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES TECHNISCHE UNIVERSITAET WIEN (AT) 2011-07-07 WO disclosed