SCHEMBL24617461

SCHEMBL24617461

CNC(=O)c1cccc(C(C)n2cc(CCN(C)C)c3cc(-c4cn[nH]c4Cl)ccc3c2=O)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.36
TNIK Q9UKE5 1/20 0.34
ROCK2 O75116 9/20 0.34
ROCK1 Q13464 3/20 0.34
TAF1 P21675 1/20 0.34
MAPK1 P28482 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
PTGER4 P35408 1/20 0.32
UTS2R Q9UKP6 1/20 0.32
BRD4 O60885 1/20 0.31

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
SCHEMBL29778457 1.00 METAP2 (0.36) METAP2TNIKROCK2ROCK1TAF1
SCHEMBL24616970 0.92 ROCK2 (0.36) METAP2TNIKROCK2ROCK1TAF1
SCHEMBL29778503 0.92 ROCK2 (0.36) METAP2TNIKROCK2ROCK1TAF1
SCHEMBL29778584 0.89 METAP2 (0.35) METAP2ROCK2ROCK1TAF1
SCHEMBL24617465 0.89 METAP2 (0.35) METAP2ROCK2ROCK1TAF1
SCHEMBL24617483 0.84 MAPK1 (0.41) METAP2TNIKROCK2TAF1MAPK1
SCHEMBL29778659 0.83 TAF1 (0.35) METAP2TNIKROCK2ROCK1TAF1
SCHEMBL24616964 0.83 TAF1 (0.35) METAP2TNIKROCK2ROCK1TAF1
SCHEMBL29135989 0.81 TAF1 (0.34) METAP2TNIKROCK2ROCK1TAF1
SCHEMBL29778460 0.81 TAF1 (0.34) METAP2TNIKROCK2ROCK1TAF1

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
WO-2022150381-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2022-07-14 WO disclosed