SCHEMBL24329942

SCHEMBL24329942

CC(C)c1ccc2nc3ncccn3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.37
CDC7 O00311 1/20 0.36
MAPK13 O15264 1/20 0.36
DAPK3 O43293 1/20 0.36
DYRK3 O43781 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKCG P05129 1/20 0.36
CDK1 P06493 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK1 P28482 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
FRK P42685 1/20 0.36

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
SCHEMBL831947 0.77 ALDH1A1 (0.46) GAAKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL24329860 0.77 NPM1 (0.43) CDC7CDK2GAAKDM4EALDH1A1
SCHEMBL29449203 0.74 PTPN1 (0.50) CSNK1A1CLK2DYRK1ACLK4GAA
SCHEMBL839531 0.74 PTPN1 (0.50) CSNK1A1CLK2DYRK1ACLK4GAA
SCHEMBL3118498 0.71 MAPT (0.55) CDC7GAAKDM4EALDH1A1RAB9A
Hydrochloric Acid SCHEMBL834232 0.70 MAPT (0.54) CDC7GAAKDM4EALDH1A1RAB9A
SCHEMBL22460800 0.70 ALOX5AP (0.35) KDM4EALDH1A1RAB9ASMN1; SMN2PTPN1
SCHEMBL830523 0.68 KLK7 (0.43) CSNK2A1GAAKDM4EALDH1A1RAB9A
SCHEMBL112749 0.67 ALDH1A1 (0.58) DYRK1AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL20587790 0.66 ALDH1A1 (0.49) GAAKDM4EALDH1A1RAB9ASMN1; SMN2

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
WO-2022078403-A1 SUBSTITUTED PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2022-04-21 WO disclosed