SCHEMBL19592079

SCHEMBL19592079

C=NNc1ccc(Nc2ccnc(-c3cccc(C(=O)N4CCOCC4)c3)n2)cc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 7/20 0.63
▸ ROCK1 Q13464 5/20 0.51
▸ KDM4E B2RXH2 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ABL1 P00519 1/20 0.44
▸ BCR P11274 1/20 0.44
▸ PLK4 O00444 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ MARK3 P27448 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ CSNK1G2 P78368 1/20 0.43
▸ MAP4K2 Q12851 1/20 0.43
▸ NTRK3 Q16288 1/20 0.43

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
SCHEMBL19592109 0.89 ROCK2 (0.64) ROCK2ROCK1JAK2EGFRMAPK14
SCHEMBL23380752 0.86 ROCK2 (0.66) ROCK2ROCK1RAB9AEGFR
SCHEMBL19591992 0.84 ROCK2 (0.64) ROCK2ROCK1CDK2ATREGFR
SCHEMBL19592078 0.80 ROCK2 (0.66) ROCK2ROCK1CDK2ATRDHODH
SCHEMBL19592018 0.78 ROCK2 (0.63) ROCK2ROCK1ABL1BCRALDH1A1
SCHEMBL17038109 0.77 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL28227359 0.74 ROCK2 (0.61) ROCK2ROCK1PLK4JAK2FLT3
SCHEMBL18792356 0.72 ROCK2 (0.66) ROCK2ROCK1
SCHEMBL24943925 0.71 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL23906216 0.69 CCNT1 (0.59) ROCK2KDM4ERAB9AFLT3CCNT1

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-9815820-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2017-11-14 — — US disclosed
Send feedback