SCHEMBL28467993

SCHEMBL28467993

[2H]C([2H])([2H])Oc1ccc(CN)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 10/20 0.60
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
HSD17B10 Q99714 1/20 0.40
TTR P02766 1/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
PRKCA P17252 1/20 0.39
AKT1 P31749 1/20 0.39
RPS6KA1 Q15418 1/20 0.39

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
SCHEMBL506373 0.87 CSNK2A1 (0.66) CSNK2A1MEN1ALDH1A1KMT2AMRGPRX4
Hydrochloric Acid SCHEMBL856874 0.85 CSNK2A1 (0.67) CSNK2A1MEN1ALDH1A1KMT2AMRGPRX4
SCHEMBL16411005 0.79 CSNK2A1 (0.61) CSNK2A1MRGPRX4SMN1; SMN2GLACSNK2A2
SCHEMBL16216977 0.76 CSNK2A1 (0.53) CSNK2A1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL506790 0.76 CSNK2A1 (0.75) CSNK2A1MRGPRX4SMN1; SMN2GLACSNK2A2
Hydrochloric Acid SCHEMBL3110229 0.75 CSNK2A1 (0.76) CSNK2A1MRGPRX4SMN1; SMN2GLACSNK2A2
SCHEMBL6215544 0.75 CSNK2A1 (1.00) CSNK2A1MEN1KMT2AMRGPRX4SMN1; SMN2
SCHEMBL8349185 0.74 KDM4E (0.56) CSNK2A1MEN1ALDH1A1KMT2A
SCHEMBL714973 0.73 KDM4E (0.70) MEN1ALDH1A1KMT2ASMN1; SMN2GLA
SCHEMBL28193125 0.72 CSNK2A1 (0.57) CSNK2A1ALDH1A1MRGPRX4CSNK2A2CSNK2B

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-109553607-B Pyrimidine carboxamide derivatives, preparation method, composition, preparation and application thereof 镇江圣安医药有限公司 2020-09-01 CN disclosed