SCHEMBL23598974

SCHEMBL23598974

CNc1nc(-c2ccccn2)nc(NCc2cccc(F)c2)c1C=N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 10/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PDE5A O76074 1/20 0.46
▸ CCNT1 O60563 1/20 0.44
▸ METAP2 P50579 2/20 0.43
▸ METAP1 P53582 2/20 0.43
▸ FFAR1 O14842 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ APP P05067 1/20 0.40

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
SCHEMBL23599206 0.84 MEN1 (0.51) HIF1AMEN1NPC1KMT2APDE5A
SCHEMBL23599378 0.82 GPR39 (0.52) HIF1AMEN1NPC1KMT2APDE5A
SCHEMBL23599173 0.80 HIF1A (0.62) HIF1AMEN1NPC1KMT2APDE5A
SCHEMBL31337005 0.74 PDE2A (0.53) HIF1AMEN1NPC1KMT2APDE5A
SCHEMBL23580588 0.74 PDE2A (0.53) HIF1AMEN1NPC1KMT2APDE5A
SCHEMBL23598955 0.73 METAP1 (0.59) HIF1AMEN1NPC1KMT2APDE5A
SCHEMBL31336855 0.71 NPC1 (0.54) HIF1AMEN1NPC1KMT2APDE5A
SCHEMBL28855513 0.71 NPC1 (0.54) HIF1AMEN1NPC1KMT2APDE5A
SCHEMBL1443145 0.67 NPC1 (0.62) NPC1FFAR1KDM4ELMNAHTT
SCHEMBL29580072 0.67 FABP1 (0.67) MEN1NPC1KMT2ACCNT1KDM4E

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-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 — — WO disclosed
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