SCHEMBL25814262

SCHEMBL25814262

CCOC(=O)n1cc(NC(=O)CCNC(=O)c2cccc(-c3cnn(C)c3)c2)nc1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 13/20 0.50
▸ WNT1 P04628 3/20 0.43
▸ GSK3B P49841 3/20 0.43
▸ DYRK1A Q13627 3/20 0.43
▸ FYN P06241 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ FGFR1 P11362 1/20 0.41
▸ FGFR3 P22607 1/20 0.41
▸ IRAK1 P51617 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL25814217 0.95 KIFC1 (0.52) KIFC1WNT1GSK3BDYRK1AFYN
SCHEMBL25814238 0.91 KIFC1 (0.42) KIFC1WNT1GSK3BDYRK1AFYN
SCHEMBL25295934 0.85 CTSV (0.41) WNT1GSK3BDYRK1AFYNCSF1R
SCHEMBL25295933 0.85 CTSV (0.41) WNT1GSK3BDYRK1AFYNCSF1R
SCHEMBL25294382 0.82 KIFC1 (0.71) KIFC1
SCHEMBL25301282 0.81 CTSV (0.39) KIFC1WNT1GSK3BDYRK1AFYN
SCHEMBL25290177 0.81 CTSV (0.39) KIFC1WNT1GSK3BDYRK1AFYN
SCHEMBL25248340 0.81 CTSV (0.39) KIFC1WNT1GSK3BDYRK1AFYN
SCHEMBL25291474 0.78 KIFC1 (0.71) KIFC1
SCHEMBL25261091 0.78 DYRK1A (0.47) WNT1GSK3BDYRK1A

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
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