SCHEMBL28499353

SCHEMBL28499353

NC1CCCN(c2nccc(Nc3ccc(F)c(C4CCCCC4)c3)n2)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAMK1D Q8IU85 8/20 0.66
▸ ROCK2 O75116 9/20 0.53
▸ ROCK1 Q13464 5/20 0.42
▸ IDH2 P48735 1/20 0.42
▸ PAK4 O96013 1/20 0.41
▸ PAK1 Q13153 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ MAP3K7 O43318 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ MAPK3 P27361 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ BLK P51451 1/20 0.40
▸ RIPK4 P57078 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MAP2K5 Q13163 1/20 0.40
▸ MAP3K11 Q16584 1/20 0.40
▸ AURKB Q96GD4 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
SCHEMBL23113161 0.79 CAMK1D (1.00) CAMK1DMAP3K7CSF1RPIM1MAPK3
SCHEMBL23113160 0.79 CAMK1D (1.00) CAMK1DMAP3K7CSF1RPIM1MAPK3
SCHEMBL28509419 0.73 CAMK1D (0.70) CAMK1DROCK2MAP3K7CSF1RPIM1
SCHEMBL28903869 0.73 CAMK1D (0.64) CAMK1DROCK2RIPK4KCNH2MAP2K5
SCHEMBL28903873 0.73 CAMK1D (0.64) CAMK1DROCK2RIPK4KCNH2MAP2K5
SCHEMBL30738704 0.73 ROCK2 (0.50) CAMK1DROCK2ROCK1PAK4PAK1
SCHEMBL28496392 0.72 CAMK1D (0.67) CAMK1DROCK2ROCK1IDH2MAP3K7
SCHEMBL28490797 0.71 CAMK1D (0.64) CAMK1DROCK2ROCK1PAK4PAK1
SCHEMBL28490794 0.71 CAMK1D (0.64) CAMK1DROCK2ROCK1PAK4PAK1
SCHEMBL28493012 0.71 CAMK1D (0.70) CAMK1DROCK2

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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