SCHEMBL28504742

SCHEMBL28504742

CC(C)c1cc(Nc2nc(Cl)ncc2C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1.CC(C)c1cc(Nc2nc(N3CCCC(N)C3)ncc2C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK1D Q8IU85 20/20 0.92
RIPK4 P57078 2/20 0.69
KCNH2 Q12809 2/20 0.69
MAP2K5 Q13163 2/20 0.69
MAP3K11 Q16584 2/20 0.69
PIP5K1C O60331 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
CAMK1 Q14012 1/20 0.69
PNCK Q6P2M8 1/20 0.69
CAMK1G Q96NX5 1/20 0.69
MAP3K7 O43318 1/20 0.62
CSF1R P07333 1/20 0.62
PIM1 P11309 1/20 0.62
MAPK3 P27361 1/20 0.62
MAPK1 P28482 1/20 0.62
SYK P43405 1/20 0.62
BLK P51451 1/20 0.62
CSNK2A1 P68400 1/20 0.62
AURKB Q96GD4 1/20 0.62

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
SCHEMBL23113156 0.96 CAMK1D (1.00) CAMK1DRIPK4KCNH2MAP2K5MAP3K11
SCHEMBL23113157 0.96 CAMK1D (1.00) CAMK1DRIPK4KCNH2MAP2K5MAP3K11
SCHEMBL23113338 0.86 CAMK1D (1.00) CAMK1DRIPK4KCNH2MAP2K5MAP3K11
SCHEMBL23113336 0.86 CAMK1D (1.00) CAMK1DRIPK4KCNH2MAP2K5MAP3K11
SCHEMBL23113319 0.85 CAMK1D (0.65) CAMK1DRIPK4KCNH2MAP2K5MAP3K11
SCHEMBL23113483 0.85 CAMK1D (1.00) CAMK1DRIPK4KCNH2MAP2K5MAP3K11
SCHEMBL23113481 0.85 CAMK1D (1.00) CAMK1DRIPK4KCNH2MAP2K5MAP3K11
SCHEMBL28497196 0.84 CAMK1D (0.91) CAMK1DRIPK4KCNH2MAP2K5MAP3K11
SCHEMBL23113752 0.83 CAMK1D (1.00) CAMK1DRIPK4KCNH2MAP2K5MAP3K11
SCHEMBL23113750 0.83 CAMK1D (1.00) CAMK1DRIPK4KCNH2MAP2K5MAP3K11

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