SCHEMBL31636847

SCHEMBL31636847

N#Cc1c(N)nc2c(Br)cccc2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 1/20 0.46
▸ ENPP1 P22413 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.43
▸ ADORA2A P29274 5/20 0.42
▸ ADORA1 P30542 4/20 0.41
▸ KDM4E B2RXH2 5/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ MAPK14 Q16539 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ GSK3B P49841 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
SCHEMBL30950214 0.84 ENPP1 (0.48) ENPP3ENPP1ALDH1A1ADORA2AADORA1
SCHEMBL28676590 0.84 ENPP1 (0.48) ENPP3ENPP1ALDH1A1ADORA2AADORA1
SCHEMBL31636670 0.82 KDM4E (0.44) ALDH1A1ADORA2AADORA1KDM4ESMN1; SMN2
SCHEMBL25295905 0.79 KDM4E (0.38) ALDH1A1ADORA2AADORA1KDM4ERXFP1
SCHEMBL4960499 0.76 EGFR (0.39) ALDH1A1ADORA2AADORA1MAPTKMT2A
SCHEMBL3521028 0.74 KDM4E (0.56) ALDH1A1ADORA2AADORA1KDM4ESMN1; SMN2
SCHEMBL31636611 0.74 KDM4E (0.56) ALDH1A1ADORA2AADORA1KDM4ESMN1; SMN2
SCHEMBL8442820 0.74 ENPP1 (0.61) ENPP3ENPP1ALDH1A1ADORA1SMN1; SMN2
SCHEMBL9794609 0.72 KDM4E (0.39) ALDH1A1ADORA2AADORA1KDM4EMEN1
SCHEMBL558306 0.70 HTT (0.46) ENPP3ENPP1ALDH1A1ADORA1KDM4E

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-2025137158-A1 DERIVATIVES OF ([1,2,4]TRIAZOLO[5,1-A]ISOQUINOLINE-5-CARBONYL)GLYCINATE AS PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2025-06-26 — — WO disclosed
Send feedback