SCHEMBL25813410

SCHEMBL25813410

Cc1nc(NC(=O)CCNc2nccc3ccc(-c4cnn(C)c4)cc23)sc1C(=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 5/20 0.40
▸ DYRK1A Q13627 11/20 0.40
▸ WNT1 P04628 10/20 0.40
▸ GSK3B P49841 9/20 0.40
▸ TTK P33981 3/20 0.38
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL25813252 0.90 DYRK1A (0.42) KIFC1DYRK1AWNT1GSK3BTTK
SCHEMBL25254036 0.84 DYRK1A (0.37) KIFC1DYRK1AWNT1GSK3BTTK
SCHEMBL25294342 0.84 DYRK1A (0.37) KIFC1DYRK1AWNT1GSK3BTTK
SCHEMBL25813063 0.83 KIFC1 (0.55) KIFC1
SCHEMBL25813384 0.80 KIFC1 (0.64) KIFC1
SCHEMBL30497105 0.78 DYRK1A (0.41) DYRK1AWNT1GSK3BTTK
SCHEMBL25813253 0.78 DYRK1A (0.41) DYRK1AWNT1GSK3BTTK
SCHEMBL25301269 0.77 DYRK1A (0.40) DYRK1AWNT1GSK3BTTK
SCHEMBL25301266 0.77 DYRK1A (0.40) DYRK1AWNT1GSK3BTTK
SCHEMBL25261091 0.76 DYRK1A (0.47) DYRK1AWNT1GSK3BTTK

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-2023131690-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2023-07-13 — — WO disclosed
Send feedback