SCHEMBL24611635

SCHEMBL24611635

CONCc1nc2c(c(=O)n(CC3CC(C(=O)O)C3)c(=O)n2C)n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PDE5A O76074 3/20 0.38
▸ PDE4A P27815 3/20 0.38
▸ PDE4B Q07343 3/20 0.38
▸ PDE4C Q08493 3/20 0.38
▸ PDE4D Q08499 3/20 0.38
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ GAA P10253 4/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HIF1A Q16665 1/20 0.34

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
SCHEMBL19607818 0.85 PDE5A (0.44) SMN1; SMN2PDE5APDE4APDE4BPDE4C
SCHEMBL19245876 0.80 PDE5A (0.43) SMN1; SMN2PDE5APDE4APDE4BPDE4C
SCHEMBL18819577 0.74 LMNA (0.35) SMN1; SMN2PDE5APDE4APDE4BPDE4C
SCHEMBL17682291 0.73 ADORA2B (0.62) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL18819578 0.71 PDE5A (0.43) SMN1; SMN2PDE5APDE4APDE4BPDE4C
SCHEMBL19607816 0.71 — —
SCHEMBL19245872 0.70 SMN1; SMN2 (0.42) SMN1; SMN2PDE5APDE4APDE4BPDE4C
SCHEMBL19246013 0.68 PDE5A (0.48) SMN1; SMN2PDE5APDE4APDE4BPDE4C
SCHEMBL17682258 0.68 ADORA2B (0.56) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL17682292 0.64 ADORA2B (0.62) SMN1; SMN2PDE4APDE4BPDE4CPDE4D

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
US-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 — — US disclosed
Send feedback