SCHEMBL28299560

SCHEMBL28299560

CNC(=O)c1nc(-c2cccnc2)nc2c1n(C)c(=O)n2-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
THRB P10828 1/20 0.40
EGLN1 Q9GZT9 2/20 0.40
GSK3B P49841 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
NAMPT P43490 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL28298247 0.88 POLB (0.60) POLBMKNK1MKNK2KDM4EGLA
SCHEMBL291601 0.80 KDM4E (0.58) KDM4EGLAHSD17B10KMT2A
SCHEMBL291313 0.69 KDM4E (0.58) KDM4EGLAHSD17B10KMT2A
SCHEMBL290812 0.68 CSNK2A1 (0.72) KDM4EGLAHSD17B10KMT2A
SCHEMBL12764674 0.66 MTOR (0.59) MKNK1MKNK2CLK4
SCHEMBL300860 0.65 KDM4E (0.46) MKNK1MKNK2KDM4EGLAHSD17B10
SCHEMBL7682175 0.65 ALDH1A1 (0.55) KDM4EKMT2AADORA3
SCHEMBL16039069 0.64 ADORA3 (0.61) POLBKDM4EGLACYP1A2CYP3A4
SCHEMBL292619 0.64 KDM4E (0.66) KDM4EGLA
SCHEMBL23830179 0.63 MKNK1 (0.52) MKNK1MKNK2CYP1A2CYP3A4NAMPT

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
CN-109846884-A With TOR kinase inhibitor for treating cancer 西格诺药品有限公司 2019-06-07 CN disclosed