SCHEMBL28282989

SCHEMBL28282989

CS(=O)(=O)N1CCC(Nc2ncccc2C(N)=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.55
JAK2 O60674 4/20 0.55
SYK P43405 6/20 0.52
JAK1 P23458 1/20 0.50
CDK2 P24941 4/20 0.49
CDK1 P06493 3/20 0.49
CDK4 P11802 3/20 0.49
CCND1 P24385 3/20 0.49
CCNA2 P20248 1/20 0.47
CCNA1 P78396 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
AHR P35869 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 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
SCHEMBL28870899 0.93 JAK3 (0.53) JAK3JAK2SYKJAK1CDK2
SCHEMBL4584445 0.83 MAPT (0.55) SYKKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL22609596 0.82 MAPT (0.54) SYKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3718998 0.81 MAPT (0.52) JAK3JAK2SYKJAK1KDM4E
SCHEMBL2718370 0.81 SYK (0.53) JAK2SYKKDM4EALDH1A1HPGD
SCHEMBL28282980 0.78 MAPK8 (0.52) SYKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3638560 0.77 MAPK1 (0.50) JAK3JAK2SYKJAK1KDM4E
SCHEMBL31403002 0.77 JAK3 (0.49) JAK3JAK2JAK1CDK2CDK1
SCHEMBL31582419 0.77 PARP1 (0.42) JAK3JAK2SYKJAK1KDM4E
SCHEMBL28321809 0.77 SYK (0.44) SYKKDM4EALDH1A1HPGDHSD17B10

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-106061967-B The nicotinamide compounds replaced through heteroaryl 百时美施贵宝公司 2019-04-19 CN claimed