SCHEMBL28499446

SCHEMBL28499446

NC1CCCN(c2nccc(Nc3cccc(N4CCCCC4=O)c3)n2)C1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CAMK1D Q8IU85 15/20 0.69
▸ ROCK2 O75116 2/20 0.48
▸ IDH2 P48735 1/20 0.44
▸ SYK P43405 3/20 0.43
▸ MAP3K7 O43318 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ MAPK3 P27361 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ BLK P51451 1/20 0.43
▸ RIPK4 P57078 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ MAP2K5 Q13163 1/20 0.43
▸ MAP3K11 Q16584 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43

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
SCHEMBL28499445 1.00 CAMK1D (0.69) CAMK1DROCK2IDH2SYKMAP3K7
SCHEMBL23113406 0.81 CAMK1D (1.00) CAMK1DSYKMAP3K7CSF1RPIM1
SCHEMBL23113405 0.81 CAMK1D (1.00) CAMK1DSYKMAP3K7CSF1RPIM1
SCHEMBL23113470 0.79 CAMK1D (1.00) CAMK1DSYKMAP3K7CSF1RPIM1
SCHEMBL23113468 0.79 CAMK1D (1.00) CAMK1DSYKMAP3K7CSF1RPIM1
SCHEMBL28509419 0.78 CAMK1D (0.70) CAMK1DROCK2SYKMAP3K7CSF1R
SCHEMBL28496392 0.77 CAMK1D (0.67) CAMK1DROCK2IDH2SYKMAP3K7
SCHEMBL28493012 0.76 CAMK1D (0.70) CAMK1DROCK2
SCHEMBL28493008 0.76 CAMK1D (0.70) CAMK1DROCK2
SCHEMBL28488317 0.74 CAMK1D (0.67) CAMK1DROCK2IDH2SYKMAP3K7

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
Send feedback