SCHEMBL24617031

SCHEMBL24617031

CNC(=O)c1cccc(C(C)n2ccc3cc(-c4cn[nH]c4Cl)ccc3c2=O)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.37
TAF1 P21675 1/20 0.36
EGFR P00533 2/20 0.36
ROCK1 Q13464 2/20 0.35
DDR2 Q16832 1/20 0.35
TNIK Q9UKE5 1/20 0.35
CDK8 P49336 1/20 0.35
METAP2 P50579 1/20 0.35
PAK1 Q13153 3/20 0.34
KCNH2 Q12809 1/20 0.34
NR4A2 P43354 1/20 0.34
MAPK1 P28482 3/20 0.34
MAPK10 P53779 2/20 0.34

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
SCHEMBL29778688 1.00 ROCK2 (0.37) ROCK2TAF1EGFRROCK1DDR2
SCHEMBL29778454 0.90 ROCK2 (0.37) ROCK2TAF1EGFRROCK1DDR2
SCHEMBL24616946 0.90 ROCK2 (0.37) ROCK2TAF1EGFRROCK1DDR2
SCHEMBL29778575 0.89 METAP2 (0.34) ROCK2EGFRROCK1METAP2PAK1
SCHEMBL24616942 0.89 METAP2 (0.34) ROCK2EGFRROCK1METAP2PAK1
SCHEMBL29135980 0.88 ROCK2 (0.36) ROCK2TAF1EGFRROCK1DDR2
SCHEMBL29778425 0.88 ROCK2 (0.36) ROCK2TAF1EGFRROCK1DDR2
SCHEMBL24617623 0.87 WNT1 (0.37) ROCK2TAF1EGFRROCK1DDR2
SCHEMBL24617474 0.86 GCK (0.42) ROCK2TAF1EGFRTNIKMETAP2
SCHEMBL24617477 0.86 GCK (0.42) ROCK2TAF1EGFRTNIKMETAP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117136186-A Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof 盖诺斯克公司 2023-11-28 CN claimed
CN-117136186-A Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof 盖诺斯克公司 2023-11-28 CN disclosed
WO-2022150381-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2022-07-14 WO disclosed