SCHEMBL18672927

SCHEMBL18672927

CC(C)c1cncc(NC2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.43
▸ MAPK8 P45983 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ DYRK1A Q13627 2/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ CSNK1D P48730 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ PRKD1 Q15139 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ HDAC3 O15379 1/20 0.35

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
SCHEMBL15830290 0.84 CCNT1 (0.44) PRMT5WDR77CDK9CCNT1
SCHEMBL15830035 0.80 MAPK1 (0.50) MAPK1PRMT5WDR77DYRK1ACLK2
SCHEMBL3504900 0.76 MAPK1 (0.50) MAPK1DYRK1ACLK2CLK3FYN
SCHEMBL17826551 0.76 MAPK1 (0.43) MAPK1PRMT5WDR77DYRK1ACLK2
SCHEMBL18466256 0.76 MAPK1 (0.43) MAPK1PRMT5WDR77DYRK1ACLK2
SCHEMBL19633589 0.73 MAPK1 (0.43) MAPK1PRMT5WDR77CSNK1DMAPK14
SCHEMBL13436322 0.70 MAPK1 (0.43) MAPK1MAPK8MAPK9MAPK10CSNK1D
SCHEMBL14349671 0.70 MAPK1 (0.46) MAPK1MAPK8MAPK9MAPK10FYN
SCHEMBL20469081 0.69 FYN (0.36) FYN
SCHEMBL13663477 0.69 JAK3 (0.46) MAPK1DYRK1ACLK2CLK3LRRK2

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
US-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 — — US disclosed
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