SCHEMBL31501746

SCHEMBL31501746

COc1cc(N)cnc1-c1ncccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ G6PD P11413 1/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ BRCA1 P38398 1/20 0.34
▸ HBB P68871 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ IMPDH2 P12268 1/20 0.33

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
SCHEMBL27042158 1.00 NSD2 (0.36) NSD2CASP6G6PDCLK4PDGFRB
SCHEMBL27070678 0.80 ACHE (0.38) CLK4PDGFRBPDGFRADYRK1AGAA
SCHEMBL31501775 0.76 NOS3 (0.38) KDM4EALDH1A1
SCHEMBL27041968 0.76 NOS3 (0.38) KDM4EALDH1A1
SCHEMBL2616551 0.72 FYN (0.44) GAAMAPTKDM4ETSHRMAPK1
SCHEMBL31501755 0.72 PKM (0.46) PDGFRBPDGFRAMAPTHTTMEN1
SCHEMBL27042365 0.72 PKM (0.46) PDGFRBPDGFRAMAPTHTTMEN1
SCHEMBL17729276 0.72 ALDH1A1 (0.34) CASP6GAAMAPTKDM4ETSHR
SCHEMBL15543726 0.71 MAPT (0.40) GAAMAPTKDM4ETSHRMAPK1
SCHEMBL115432 0.71 PIK3CA (0.42) GAAMAPTKDM4ETSHRMAPK1

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
CN-119923398-A Cyclic compounds and methods of use thereof 薛定谔公司 2025-05-02 — — CN disclosed
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