SCHEMBL23313862

SCHEMBL23313862

COC(=O)c1nc(C)c2cc[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.41
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CDK8 P49336 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TTBK1 Q5TCY1 1/20 0.36
TTBK2 Q6IQ55 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DYRK1A Q13627 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 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
SCHEMBL20210254 0.74 TSHR (0.42) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL28478763 0.72 NPSR1 (0.50) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL15655480 0.72 MEN1 (0.59) NUDT1MEN1KMT2AALDH1A1KDM4E
SCHEMBL18009822 0.72 ADORA2A (0.40) NUDT1ADORA2AADORA1ALDH1A1KDM4E
SCHEMBL31396067 0.72 KDM4E (0.52) ALDH1A1KDM4EHPGDLMNATP53
SCHEMBL20748444 0.72 ADORA2A (0.42) NUDT1ADORA2AADORA1TTBK1TTBK2
SCHEMBL18572717 0.72 NPSR1 (0.60) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9912500 0.72 PIK3CA (0.50) NUDT1ADORA2AADORA1TTBK1TTBK2
SCHEMBL5134352 0.71 ADORA2A (0.44) NUDT1ADORA2AADORA1KMT2AALDH1A1
SCHEMBL25781781 0.71 ADORA2A (0.40) NUDT1ADORA2AADORA1CDK8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021079196-A9 METTL3 MODULATORS ACCENT THERAPEUTICS, INC (US) 2022-07-14 WO disclosed
WO-2021079196-A2 METTL3 MODULATORS ACCENT THERAPEUTICS, INC (US) 2021-04-29 WO disclosed