SCHEMBL31489196

SCHEMBL31489196

COc1cc(I)cc2nc(N)nn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.39
NUDT1 P36639 4/20 0.37
KDM4E B2RXH2 7/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 4/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
CXCR2 P25025 1/20 0.33
MAPT P10636 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
KPNA2 P52292 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL31489390 0.80 JAK1 (0.39) JAK1NUDT1KDM4EALDH1A1HPGD
SCHEMBL31489241 0.74 PIK3CG (0.40) NUDT1KDM4EALDH1A1PKMGLA
SCHEMBL2984728 0.68 ALDH1A1 (0.44) JAK1KDM4EALDH1A1HPGDNPC1
SCHEMBL15579070 0.68 NUDT1 (0.43) JAK1NUDT1KDM4EALDH1A1HPGD
SCHEMBL7870538 0.67 JAK1 (0.42) JAK1NUDT1KDM4EALDH1A1HPGD
SCHEMBL30874446 0.63 CA12 (0.32) SMN1; SMN2CA12CA1CA2CA3
SCHEMBL20844717 0.63 NUDT1 (0.38) NUDT1KDM4EALDH1A1HPGDNPC1
SCHEMBL22207511 0.62 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2
SCHEMBL1907671 0.62 PDE10A (0.34) PDE10A
SCHEMBL2254006 0.62 NUDT1 (0.57) NUDT1KDM4EALDH1A1HPGDNPC1

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