SCHEMBL16120044

SCHEMBL16120044

CN(CCN)Cc1n[nH]c2ccc(N3CCCCC3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.40
▸ NTRK1 P04629 3/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ PIM1 P11309 2/20 0.37
▸ PIM2 Q9P1W9 2/20 0.37
▸ CDK1 P06493 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ AR P10275 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.35
▸ FGFR1 P11362 2/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ CLK3 P49761 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ KIF11 P52732 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
SCHEMBL17465774 0.87 NTRK1 (0.41) JAK2NTRK1FLT3PIM1PIM2
SCHEMBL16120069 0.77 PRMT1 (0.42) JAK2NTRK1FLT3CDK1CDK4
SCHEMBL16120049 0.77 PRMT5 (0.48) —
SCHEMBL17457591 0.76 NTRK1 (0.41) JAK2NTRK1FLT3CDK1CDK4
SCHEMBL14487030 0.72 JAK2 (0.59) JAK2NTRK1MAP4K4ARIP6K1
SCHEMBL16119983 0.70 KDM4E (0.37) HSD17B10
SCHEMBL16119991 0.69 TRPM8 (0.48) NTRK1FLT3
SCHEMBL24172742 0.68 JAK2 (0.45) JAK2NTRK1ARFGFR1DYRK1A
SCHEMBL16119960 0.65 PRMT1 (0.46) —
SCHEMBL17469510 0.63 PRMT1 (0.49) —

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-2014153235-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 — — WO disclosed
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