SCHEMBL29338716

SCHEMBL29338716

COc1ccc2nc(NCc3ccc(SC)cc3)cnc2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 3/20 0.53
▸ PDGFRA P16234 3/20 0.53
▸ TP53 P04637 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CLK4 Q9HAZ1 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ DYRK1A Q13627 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CLK1 P49759 1/20 0.42
▸ HPGDS O60760 1/20 0.42
▸ PCSK9 Q8NBP7 1/20 0.41
▸ PTGDR Q13258 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ EGFR P00533 2/20 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
SCHEMBL29338470 0.82 PDGFRB (0.52) PDGFRBPDGFRATP53RAB9ANPC1
SCHEMBL1530816 0.81 PDGFRB (0.55) PDGFRBPDGFRATP53RAB9ANPC1
SCHEMBL29338718 0.80 PDGFRB (0.49) PDGFRBPDGFRATP53RAB9ANPC1
SCHEMBL29338750 0.78 CSF1R (0.46) PDGFRBPDGFRARAB9ANPC1GAA
SCHEMBL29338736 0.78 PDGFRB (0.52) PDGFRBPDGFRATP53RAB9ACLK4
SCHEMBL558386 0.77 PDGFRB (0.54) PDGFRBPDGFRARAB9ANPC1TSHR
SCHEMBL782184 0.75 CLK4 (0.50) PDGFRBPDGFRARAB9ANPC1CLK4
SCHEMBL1530858 0.73 PDGFRB (0.47) PDGFRBPDGFRATP53RAB9ANPC1
SCHEMBL31663349 0.73 MEN1 (0.49) PDGFRBPDGFRATP53RAB9ACLK4
SCHEMBL558073 0.72 FGFR3 (0.56) PDGFRBPDGFRARAB9ANPC1TSHR

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-2024148272-A1 AZA BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2024-07-11 — — WO disclosed
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