SCHEMBL28052044

SCHEMBL28052044

Cn1c(N)c(N)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.58
▸ KDM4E B2RXH2 4/20 0.47
▸ NQO2 P16083 1/20 0.47
▸ LIMK1 P53667 1/20 0.44
▸ ALKBH5 Q6P6C2 1/20 0.44
▸ FTO Q9C0B1 1/20 0.44
▸ PABPC1 P11940 1/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ MAPT P10636 3/20 0.42
▸ EGFR P00533 2/20 0.42
▸ ERCC1 P07992 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ ERCC4 Q92889 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HTT P42858 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
SCHEMBL13884610 0.80 GPR3 (0.56) GPR3KDM4ENQO2LIMK1ALKBH5
SCHEMBL30861068 0.80 GPR3 (0.56) GPR3KDM4ENQO2LIMK1ALKBH5
SCHEMBL29223682 0.78 GPR3 (0.54) GPR3KDM4ENQO2LIMK1ALKBH5
SCHEMBL3194924 0.77 GPR3 (0.52) GPR3KDM4ENQO2HSD17B10MAPT
SCHEMBL11647327 0.75 LMNA (0.51) GPR3KDM4ELIMK1HSD17B10MAPT
SCHEMBL4785226 0.75 ALDH1A1 (0.57) GPR3KDM4ELIMK1HSD17B10MAPT
SCHEMBL13884612 0.75 GPR3 (0.50) GPR3KDM4ENQO2LIMK1ALKBH5
SCHEMBL29321 0.75 GPR3 (1.00) GPR3KDM4ENQO2ALKBH5FTO
SCHEMBL29461528 0.75 GPR3 (1.00) GPR3KDM4ENQO2ALKBH5FTO
SCHEMBL31223937 0.74 KDM4E (0.53) GPR3KDM4ENQO2HSD17B10MAPT

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-105209449-A Inhibitors of the kynurenine pathway CURADEV PHARMA PRIVATE LTD 2015-12-30 — — CN claimed
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