SCHEMBL17622820

SCHEMBL17622820

CC(=O)N(C)CCN(C)c1ncncc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ HSD17B10 Q99714 4/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ CYP2C9 P11712 1/20 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
SCHEMBL24861474 0.68 CHEK1 (0.38) MAPK1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL7942491 0.65 CHRM1 (0.48) MEN1LMNAMAPTKMT2ATDP1
SCHEMBL15830305 0.64 NPC1 (0.42) —
SCHEMBL25663868 0.63 — —
SCHEMBL25663806 0.63 — —
SCHEMBL24218534 0.63 HDAC1 (0.47) —
SCHEMBL21780827 0.61 TDP1 (0.37) HSD17B10KDM4ETDP1ALDH1A1PDK2
SCHEMBL15223874 0.61 MTNR1A (0.54) CYP3A4MEN1CYP2C19KMT2AALDH1A1
SCHEMBL17623392 0.61 MTNR1A (0.33) —
SCHEMBL24660237 0.60 CHRM1 (0.39) —

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
WO-2016044641-A2 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 — — WO disclosed
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