SCHEMBL24464147

SCHEMBL24464147

COC(=O)c1cccc(-c2nccc(Nc3ccc(N)c(C=N)c3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 8/20 0.57
▸ ABL1 P00519 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ ROCK2 O75116 10/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ SYK P43405 1/20 0.39

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
SCHEMBL24862335 0.90 KDR (0.44) ROCK1ROCK2MEN1USP2LMNA
SCHEMBL24464173 0.89 NPC1 (0.50) ROCK1ABL1BCRROCK2MEN1
SCHEMBL24740966 0.84 CYP1A2 (0.43) ROCK1ROCK2MEN1USP2LMNA
SCHEMBL24862400 0.84 SYK (0.45) ROCK1ROCK2MEN1USP2LMNA
SCHEMBL24464202 0.83 ROCK2 (0.53) ROCK1SRCROCK2MEN1CYP3A4
SCHEMBL24740943 0.82 ABCG2 (0.52) ROCK1ROCK2MEN1USP2LMNA
SCHEMBL24862273 0.82 ROCK2 (0.55) ROCK1ROCK2MEN1USP2LMNA
SCHEMBL24862663 0.82 ROCK2 (0.64) ROCK1ROCK2MEN1LMNACYP1A2
SCHEMBL24862317 0.82 ROCK2 (0.45) ROCK1ROCK2MEN1USP2LMNA
SCHEMBL24464195 0.81 USP2 (0.47) ROCK1ROCK2MEN1USP2LMNA

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-2903618-B1 RHO KINASE INHIBITORS KADMON CORP LLC (US) 2022-06-01 — — EP disclosed
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