SCHEMBL29247293

SCHEMBL29247293

CC1CN(c2ncnc3[nH]cc(-c4ccccn4)c23)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 11/20 0.53
MAP4K4 O95819 1/20 0.47
HDAC1 Q13547 1/20 0.46
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 3/20 0.45
LIMK1 P53667 2/20 0.45
LRRK2 Q5S007 5/20 0.44
CDC42BPB Q9Y5S2 1/20 0.43
SMO Q99835 1/20 0.43

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
SCHEMBL30372519 1.00 LIMK2 (0.53) LIMK2MAP4K4HDAC1ROCK2ROCK1
SCHEMBL29247286 1.00 LIMK2 (0.53) LIMK2MAP4K4HDAC1ROCK2ROCK1
SCHEMBL30295362 0.89 LIMK2 (0.57) LIMK2MAP4K4ROCK2ROCK1LIMK1
SCHEMBL29247120 0.86 LRRK2 (0.59) LIMK2MAP4K4HDAC1ROCK2ROCK1
SCHEMBL30295262 0.86 LRRK2 (0.59) LIMK2MAP4K4HDAC1ROCK2ROCK1
SCHEMBL29247127 0.86 LRRK2 (0.59) LIMK2MAP4K4HDAC1ROCK2ROCK1
SCHEMBL29247486 0.86 KIT (0.55) ROCK2ROCK1LIMK1LRRK2CDC42BPB
SCHEMBL30372597 0.86 KIT (0.55) ROCK2ROCK1LIMK1LRRK2CDC42BPB
SCHEMBL3807817 0.84 LIMK2 (0.65) LIMK2MAP4K4ROCK2ROCK1LIMK1
SCHEMBL3648782 0.84 LIMK2 (0.65) LIMK2MAP4K4ROCK2ROCK1LIMK1

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
CN-118317963-A TRPML modulators, compositions thereof, and methods of use 卡拉韦治疗公司 2024-07-09 CN disclosed