SCHEMBL15747836

SCHEMBL15747836

CC(C)(C#N)c1ccc(Nc2c(N)cnc3ccc(Cl)nc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 14/20 0.47
▸ AXL P30530 1/20 0.35
▸ PIK3CA P42336 9/20 0.35
▸ CSNK1A1 P48729 2/20 0.33
▸ CSNK1D P48730 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ CSNK1G2 P78368 2/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ STK4 Q13043 1/20 0.33

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
SCHEMBL31439307 1.00 MTOR (0.47) MTORAXLPIK3CACSNK1A1CSNK1D
SCHEMBL14978583 0.86 MTOR (0.44) MTORAXLPIK3CAPRKDCSTK4
SCHEMBL14978610 0.84 MTOR (0.42) MTORAXLPIK3CACSNK1A1CSNK1D
SCHEMBL16086154 0.84 MTOR (0.43) MTORAXLPIK3CACSNK1A1CSNK1D
SCHEMBL31439343 0.82 MTOR (0.42) MTORPIK3CACSNK1DGSK3BCSNK1G2
SCHEMBL15747832 0.82 MTOR (0.42) MTORPIK3CACSNK1DGSK3BCSNK1G2
SCHEMBL18807465 0.81 MTOR (0.52) MTOR
SCHEMBL1025189 0.80 MTOR (0.54) MTOR
SCHEMBL14978580 0.78 DYRK1A (0.51) MTOR
SCHEMBL1025549 0.76 MTOR (0.55) MTORPIK3CACSNK1A1CSNK1DGSK3B

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-2719697-B1 PYRIDONAPHTHYRIDINE PI3K/MTOR DUAL INHIBITORS AND PREPARATION AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2018-08-01 — — EP disclosed
WO-2014079364-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 北京富龙康泰生物技术有限公司 (CN) 2014-05-30 — — WO disclosed
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