SCHEMBL24329598

SCHEMBL24329598

Cc1ccc2nc3n(c2c1)CCN3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HTR3A P46098 1/20 0.40
TGFBR1 P36897 3/20 0.40
IKBKB O14920 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PARP1 P09874 1/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RPS6KA3 P51812 1/20 0.36
KCNH2 Q12809 1/20 0.36
KMT2A Q03164 1/20 0.36
SOS1 Q07889 1/20 0.36
TLR8 Q9NR97 1/20 0.35

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
SCHEMBL19808001 0.91 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10HTR3A
SCHEMBL831803 0.81 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10TGFBR1
SCHEMBL30525511 0.81 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10TGFBR1
SCHEMBL24329882 0.81 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10TGFBR1
SCHEMBL31249024 0.76 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL19807936 0.76 SMN1; SMN2 (0.41) KDM4EALDH1A1HTR3AIKBKBHRH4
SCHEMBL21321091 0.76 TGFBR1 (0.40) KDM4EALDH1A1HPGDHSD17B10TGFBR1
SCHEMBL13057965 0.73 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10TGFBR1
SCHEMBL19807935 0.72 ALPI (0.40) KDM4EALDH1A1HSD17B10HTR3AMAPK1
SCHEMBL831804 0.71 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10HRH3

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