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SCHEMBL28490750

SCHEMBL28490750

CC(C)(F)c1cc(Nc2nc(N3CCCC(N)C3)ncc2C(N)=O)cc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAMK1D Q8IU85 20/20 1.00
▸ MAP3K7 O43318 1/20 0.77
▸ CSF1R P07333 1/20 0.77
▸ PIM1 P11309 1/20 0.77
▸ MAPK3 P27361 1/20 0.77
▸ MAPK1 P28482 1/20 0.77
▸ SYK P43405 1/20 0.77
▸ BLK P51451 1/20 0.77
▸ RIPK4 P57078 1/20 0.77
▸ CSNK2A1 P68400 1/20 0.77
▸ KCNH2 Q12809 1/20 0.77
▸ MAP2K5 Q13163 1/20 0.77
▸ MAP3K11 Q16584 1/20 0.77
▸ AURKB Q96GD4 1/20 0.77

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
SCHEMBL24736229 1.00 CAMK1D (1.00) CAMK1DMAP3K7CSF1RPIM1MAPK3
SCHEMBL23113519 0.97 CAMK1D (1.00) CAMK1DMAP3K7CSF1RPIM1MAPK3
SCHEMBL23113520 0.97 CAMK1D (1.00) CAMK1DMAP3K7CSF1RPIM1MAPK3
SCHEMBL23113673 0.95 CAMK1D (1.00) CAMK1DMAP3K7CSF1RPIM1MAPK3
SCHEMBL23113674 0.95 CAMK1D (1.00) CAMK1DMAP3K7CSF1RPIM1MAPK3
SCHEMBL23113454 0.94 CAMK1D (1.00) CAMK1DMAP3K7CSF1RPIM1MAPK3
SCHEMBL23113452 0.94 CAMK1D (1.00) CAMK1DMAP3K7CSF1RPIM1MAPK3
SCHEMBL23113464 0.92 CAMK1D (1.00) CAMK1D
SCHEMBL23113465 0.92 CAMK1D (1.00) CAMK1D
SCHEMBL23113390 0.90 CAMK1D (1.00) CAMK1DKCNH2MAP2K5MAP3K11

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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