SCHEMBL28822652

SCHEMBL28822652

CC(N)c1ccc(-c2n[c]ccn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CIT O14578 2/20 0.39
ROCK2 O75116 6/20 0.38
ROCK1 Q13464 3/20 0.38
ADRB2 P07550 2/20 0.37
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
PRKACA P17612 1/20 0.34
CSNK2A2 P19784 1/20 0.34
MARK3 P27448 1/20 0.34
BMPR1A P36894 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CLK1 P49759 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK9 P50750 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
PKN1 Q16512 1/20 0.34

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
SCHEMBL11109935 0.86 TP53 (0.42) NPC1TP53RAB9ANPSR1DGAT1
Water SCHEMBL27706790 0.82 TP53 (0.39) NPC1TP53RAB9ANPSR1DGAT1
SCHEMBL28035391 0.81 CLK4 (0.34) CLK4
SCHEMBL11103424 0.77 MEN1 (0.43) CLK1GSK3AGSK3BNPC1TP53
SCHEMBL27687527 0.77 MEN1 (0.45) ADRB2NPC1TP53RAB9A
SCHEMBL28285879 0.73 MAPT (0.43) MAP4K4NPC1RAB9A
SCHEMBL11105020 0.72 TP53 (0.42) ADRB2NPC1TP53RAB9A
SCHEMBL16720037 0.72 MAPT (0.42) NPC1TP53RAB9ANPSR1
SCHEMBL468098 0.72 NPC1 (0.42) NPC1RAB9ANPSR1
SCHEMBL16457493 0.69 KIF11 (0.47) GSK3AGSK3BNPC1RAB9A

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
CN-105120869-A Treatment of ocular disorders KADMON CORP LLC 2015-12-02 CN disclosed
CN-105101996-A Treatment of ocular disorders KADMON CORP LLC 2015-11-25 CN disclosed