SCHEMBL28501285

SCHEMBL28501285

C[C@@H]1COC[C@H](C)N1C(=O)c1cccc(Nc2nc(N3CCC[C@H](OC(N)=O)C3)ncc2C(N)=O)c1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAMK1D Q8IU85 20/20 0.81
▸ MAP3K7 O43318 1/20 0.52
▸ CSF1R P07333 1/20 0.52
▸ PIM1 P11309 1/20 0.52
▸ MAPK3 P27361 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ SYK P43405 1/20 0.52
▸ BLK P51451 1/20 0.52
▸ RIPK4 P57078 1/20 0.52
▸ CSNK2A1 P68400 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ MAP2K5 Q13163 1/20 0.52
▸ MAP3K11 Q16584 1/20 0.52
▸ AURKB Q96GD4 1/20 0.52

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
SCHEMBL28501286 1.00 CAMK1D (0.81) CAMK1DMAP3K7CSF1RPIM1MAPK3
SCHEMBL24735811 0.89 CAMK1D (1.00) CAMK1DMAP3K7CSF1RPIM1MAPK3
Hydrochloric Acid SCHEMBL23113250 0.89 CAMK1D (0.98) CAMK1DMAP3K7CSF1RPIM1MAPK3
Hydrochloric Acid SCHEMBL23113247 0.89 CAMK1D (0.98) CAMK1DMAP3K7CSF1RPIM1MAPK3
SCHEMBL23113362 0.87 CAMK1D (0.81) CAMK1D
SCHEMBL23113365 0.87 CAMK1D (0.81) CAMK1D
SCHEMBL30022892 0.85 CAMK1D (0.76) CAMK1DMAP3K7CSF1RPIM1MAPK3
SCHEMBL23113265 0.83 CAMK1D (0.61) CAMK1DMAP3K7CSF1RPIM1MAPK3
SCHEMBL28509414 0.82 CAMK1D (0.81) CAMK1DMAP3K7CSF1RPIM1MAPK3
SCHEMBL23113282 0.77 CAMK1D (1.00) CAMK1DMAP3K7CSF1RPIM1MAPK3

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-112119077-A Kinase inhibitors 曼彻斯特大学 2020-12-22 — — CN disclosed
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