SCHEMBL29076112

SCHEMBL29076112

Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1NC1CC1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIK1 P57059 2/20 0.73
SIK2 Q9H0K1 2/20 0.73
SIK3 Q9Y2K2 2/20 0.73
SYK P43405 10/20 0.71
SRC P12931 6/20 0.66
HCK P08631 1/20 0.63
FGFR1 P11362 1/20 0.63
BRD4 O60885 1/20 0.61
TNK2 Q07912 1/20 0.59

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
SCHEMBL31612066 1.00 SIK1 (0.73) SIK1SIK2SIK3SYKSRC
SCHEMBL31612055 0.97 SIK1 (0.74) SIK1SIK2SIK3SYKSRC
SCHEMBL31612109 0.97 SIK1 (0.72) SIK1SIK2SIK3SYKSRC
SCHEMBL31612131 0.96 SIK1 (0.71) SIK1SIK2SIK3SYKSRC
SCHEMBL29076199 0.96 SIK1 (0.71) SIK1SIK2SIK3SYKSRC
SCHEMBL31612069 0.95 SIK1 (0.81) SIK1SIK2SIK3SYKSRC
SCHEMBL29076110 0.95 SIK1 (0.81) SIK1SIK2SIK3SYKSRC
SCHEMBL31612096 0.94 SIK1 (0.68) SIK1SIK2SIK3SYKSRC
SCHEMBL31612122 0.94 SRC (0.75) SIK1SIK2SIK3SYKSRC
SCHEMBL29076268 0.94 SRC (0.75) SIK1SIK2SIK3SYKSRC

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-116514726-A Pyrimidine derivative and application thereof 四川大学 2023-08-01 CN disclosed