SCHEMBL28627686

SCHEMBL28627686

C=CC(=O)n1c(N)nc2nc[nH]c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.41
DPP4 P27487 1/20 0.39
MGMT P16455 5/20 0.38
CDK2 P24941 5/20 0.38
CDK1 P06493 4/20 0.38
CCNB1 P14635 4/20 0.38
CCNA2 P20248 4/20 0.38
CCNA1 P78396 4/20 0.38
GDA Q9Y2T3 2/20 0.37
PDPK1 O15530 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KDR P35968 1/20 0.34
AURKB Q96GD4 1/20 0.34
CYP1A2 P05177 2/20 0.34
MAP3K5 Q99683 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6821773 0.82 PNP (0.45) PNPDPP4MGMTCDK2GDA
SCHEMBL218669 0.81 MGMT (0.45) PNPDPP4MGMTCDK2CDK1
Bromide SCHEMBL8165615 0.80 MGMT (0.44) PNPDPP4MGMTCDK2CDK1
SCHEMBL5694074 0.80 CDK1 (0.47) PNPDPP4MGMTCDK2CDK1
SCHEMBL28559768 0.80 MGMT (0.41) PNPDPP4MGMTCDK2CDK1
Benzene SCHEMBL8024450 0.79 MGMT (0.43) PNPDPP4MGMTCDK2CDK1
SCHEMBL453204 0.78 CYP1A2 (0.41) PNPDPP4MGMTCDK2CDK1
SCHEMBL29203683 0.77 PNP (0.45) PNPDPP4MGMTCDK2CDK1
SCHEMBL5694191 0.76 NPC1 (0.51) PNPMGMTCDK2CDK1CCNB1
SCHEMBL8843878 0.76 PDE4A (0.43) PNPMGMTCDK2CDK1CCNB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113413483-B Adhesive-non-adhesive integrated hydrogel, preparation method thereof and application thereof in wound repair 四川大学 2022-07-05 CN claimed
CN-113413483-A Adhesive-non-adhesive integrated hydrogel, preparation method thereof and application thereof in wound repair 四川大学 2021-09-21 CN claimed
CN-113413483-B Adhesive-non-adhesive integrated hydrogel, preparation method thereof and application thereof in wound repair 四川大学 2022-07-05 CN disclosed
CN-113413483-A Adhesive-non-adhesive integrated hydrogel, preparation method thereof and application thereof in wound repair 四川大学 2021-09-21 CN disclosed