SCHEMBL31469646

SCHEMBL31469646

O=[N+]([O-])c1n[nH]c2nc(Cl)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
GALR3 O60755 1/20 0.39
KDM4E B2RXH2 2/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP2C19 P33261 1/20 0.37
MTOR P42345 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL18130786 0.73 GALR3 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29439822 0.73 GALR3 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3790051 0.71 MAPT (0.44) KDM4ELMNACYP1A2PKMTSHR
SCHEMBL30856584 0.71 MAPT (0.44) KDM4ELMNACYP1A2PKMTSHR
SCHEMBL11963235 0.69 KDM4E (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31500394 0.69 KDM4E (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31451584 0.69 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30857971 0.69 HSD17B10 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11975949 0.69 HSD17B10 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29513945 0.69 KDM4E (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-2025079989-A1 PYRAZOLO[3,4-B]PYRIDINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사유한양행 2025-04-17 WO disclosed