SCHEMBL23599378

SCHEMBL23599378

CNc1nc(-c2ccccn2)nc(NCc2ccc(Cl)cc2)c1C=N

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR39 O43194 3/20 0.52
▸ METAP2 P50579 2/20 0.49
▸ METAP1 P53582 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HIF1A Q16665 9/20 0.48
▸ PDE5A O76074 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.45
▸ KLKB1 P03952 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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 0.89 MEN1 (0.51) GPR39METAP2METAP1MEN1NPC1
SCHEMBL23599173 0.87 HIF1A (0.62) MEN1NPC1KMT2AHIF1APDE5A
SCHEMBL23598974 0.82 HIF1A (0.48) METAP2METAP1MEN1NPC1KMT2A
SCHEMBL23598955 0.80 METAP1 (0.59) METAP2METAP1MEN1NPC1KMT2A
SCHEMBL31336930 0.72 PDE2A (0.65) GPR39MEN1NPC1KMT2APDE5A
SCHEMBL23579560 0.72 PDE2A (0.65) GPR39MEN1NPC1KMT2APDE5A
SCHEMBL8042386 0.72 HIF1A (0.84) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL8042401 0.71 HIF1A (0.85) HIF1AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL23598969 0.71 SMN1; SMN2 (0.50) KMT2AKDM4ELMNAHTTSMN1; SMN2
SCHEMBL28855649 0.69 NPC1 (0.63) MEN1NPC1KMT2AHIF1APDE5A

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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