SCHEMBL19592018

SCHEMBL19592018

C=NNc1ccc(Nc2ccnc(-c3cccc(C(=O)Nc4cccnc4)c3)n2)cc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.63
▸ ROCK1 Q13464 2/20 0.63
▸ KMT2A Q03164 2/20 0.52
▸ IDE P14735 1/20 0.52
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ BLK P51451 1/20 0.46
▸ BTK Q06187 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ ABL1 P00519 6/20 0.46
▸ PDGFRB P09619 5/20 0.46
▸ BCR P11274 5/20 0.46
▸ PDGFRA P16234 5/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ BRAF P15056 3/20 0.45
▸ PRKCA P17252 3/20 0.44
▸ SRC P12931 2/20 0.44
▸ PRKCD Q05655 2/20 0.44

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
SCHEMBL24943344 0.85 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL19592109 0.80 ROCK2 (0.64) ROCK2ROCK1MAPK9MAPK10EGFR
SCHEMBL19591992 0.80 ROCK2 (0.64) ROCK2ROCK1EGFR
SCHEMBL19592078 0.79 ROCK2 (0.66) ROCK2ROCK1
SCHEMBL19592079 0.78 ROCK2 (0.63) ROCK2ROCK1ABL1BCREGFR
SCHEMBL17038111 0.78 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL24943925 0.74 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL28284095 0.73 KMT2A (0.59) KMT2AIDEBTKABL1PDGFRB
SCHEMBL24943866 0.72 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL18792356 0.71 ROCK2 (0.66) ROCK2ROCK1

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
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