SCHEMBL24862299

SCHEMBL24862299

COCCOc1cccc(-c2nccc(Nc3ccc(N)c(C=N)c3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 7/20 0.48
▸ ROCK1 Q13464 5/20 0.46
▸ DYRK1A Q13627 4/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ CDC42BPA Q5VT25 1/20 0.46
▸ CLK4 Q9HAZ1 10/20 0.42
▸ CYP1A2 P05177 8/20 0.42
▸ CYP3A4 P08684 8/20 0.42
▸ CYP2D6 P10635 6/20 0.42
▸ CYP2C19 P33261 6/20 0.42
▸ TSHR P16473 5/20 0.42
▸ LMNA P02545 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ USP2 O75604 2/20 0.40

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
SCHEMBL24862273 0.84 ROCK2 (0.55) ROCK2ROCK1DYRK1APRKACAPRKCD
SCHEMBL24862663 0.84 ROCK2 (0.64) ROCK2ROCK1DYRK1APRKACAPRKCD
SCHEMBL24862678 0.84 ROCK2 (0.44) ROCK2ROCK1DYRK1APRKACAPRKCD
SCHEMBL24862317 0.84 ROCK2 (0.45) ROCK2ROCK1DYRK1APRKACAPRKCD
SCHEMBL19592089 0.83 ROCK2 (0.46) ROCK2ROCK1DYRK1APRKACAPRKCD
SCHEMBL24464157 0.83 ROCK2 (0.66) ROCK2ROCK1DYRK1ACLK4
SCHEMBL24740966 0.82 CYP1A2 (0.43) ROCK2ROCK1CLK4CYP1A2CYP3A4
SCHEMBL24353609 0.81 ROCK2 (0.47) ROCK2ROCK1DYRK1APRKACAPRKCD
SCHEMBL24464147 0.81 ROCK1 (0.57) ROCK2ROCK1CLK4CYP1A2CYP3A4
SCHEMBL24740943 0.81 ABCG2 (0.52) ROCK2ROCK1PRKCDCLK4CYP1A2

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
EP-4116293-A2 RHO KINASE INHIBITORS Kadmon Corporation, LLC (US) 2023-01-11 — — EP disclosed
Send feedback