SCHEMBL31489476

SCHEMBL31489476

Clc1cccc(-c2ccn3ncnc3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
JAK2 O60674 1/20 0.42
TGFBR1 P36897 3/20 0.38
DYRK1A Q13627 2/20 0.36
PIK3CD O00329 1/20 0.36
TNIK Q9UKE5 1/20 0.36
EGLN2 Q96KS0 3/20 0.35
BACE1 P56817 1/20 0.35
F9 P00740 1/20 0.33
SCD O00767 1/20 0.33
KDM1A O60341 1/20 0.33
MET P08581 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32

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
SCHEMBL15639486 0.71 TGFBR1 (0.38) KDM4ETGFBR1PIK3CDTNIKEGLN2
SCHEMBL31489179 0.70 KDM4E (0.35) KDM4EALDH1A1JAK2
SCHEMBL29655527 0.70 EGLN2 (0.41) KDM4EALDH1A1JAK2TGFBR1DYRK1A
SCHEMBL18030717 0.68 TGFBR1 (0.64) TGFBR1
SCHEMBL22878940 0.68 PIK3CD (0.37) KDM4EALDH1A1TGFBR1DYRK1APIK3CD
SCHEMBL24726642 0.68 MAPK1 (0.41) JAK2TGFBR1PIK3CDTNIKF9
SCHEMBL19762806 0.67 IDO1 (0.50) JAK2TGFBR1HSD17B1HSD17B2
SCHEMBL15640085 0.67 EGLN2 (0.44) JAK2TGFBR1EGLN2BACE1
SCHEMBL23291684 0.67 TGFBR1 (0.44) TGFBR1DYRK1APIK3CDTNIKSCD
SCHEMBL23291682 0.67 ALDH1A1 (0.40) ALDH1A1TGFBR1PIK3CDTNIKSCD

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-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 WO disclosed