SCHEMBL29618324

SCHEMBL29618324

N#Cc1cc2c(nc1N)CCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.40
ALDH1A1 P00352 10/20 0.40
GAA P10253 2/20 0.40
ADORA1 P30542 1/20 0.38
HSD17B10 Q99714 8/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
CSNK1A1 P48729 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HPGD P15428 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
PKM P14618 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL24517473 1.00 KDM4E (0.40) KDM4EALDH1A1GAAADORA1HSD17B10
SCHEMBL29618403 0.80 SMN1; SMN2 (0.53) KDM4EALDH1A1GAAHSD17B10TSHR
SCHEMBL28758443 0.80 SMN1; SMN2 (0.53) KDM4EALDH1A1GAAHSD17B10TSHR
SCHEMBL24517534 0.80 KDM4E (0.36) KDM4EALDH1A1GAAHSD17B10TSHR
SCHEMBL29618381 0.74 DYRK1A (0.36) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL21935992 0.74 DYRK1A (0.36) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL31168552 0.74 DYRK1A (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL31168524 0.74 DYRK1A (0.36) GAARAB9ASMN1; SMN2DYRK1A
SCHEMBL24517477 0.71 ALDH1A1 (0.41) KDM4EALDH1A1GAAADORA1HSD17B10
SCHEMBL29664483 0.71 ALDH1A1 (0.41) KDM4EALDH1A1GAAADORA1HSD17B10

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-2022121805-A1 FUSED RING COMPOUND AS NAV1.8 INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2022-06-16 WO disclosed
CN-114591293-A Fused ring compound as Nav1.8 inhibitor and application thereof 成都康弘药业集团股份有限公司 2022-06-07 CN disclosed