SCHEMBL20301264

SCHEMBL20301264

N#Cc1nnc2ccccc2c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.48
▸ ALDH1A1 P00352 7/20 0.48
▸ HSD17B10 Q99714 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ CASP1 P29466 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ TSHR P16473 3/20 0.48
▸ GLA P06280 2/20 0.48
▸ CASP7 P55210 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ RAD52 P43351 1/20 0.48
▸ GPR3 P46089 1/20 0.48

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
SCHEMBL23942265 0.77 GPR3 (0.48) KDM4EALDH1A1HSD17B10MAPTKMT2A
SCHEMBL17151156 0.76 APP (0.54) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL14289088 0.73 GPR3 (0.43) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL1640925 0.73 POLB (0.52) KDM4EALDH1A1CASP1MAPTKMT2A
SCHEMBL3485822 0.73 GPR3 (0.59) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL14059374 0.72 LRRK2 (0.56) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL24392242 0.72 ACHE (0.45) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL11732580 0.69 GPR3 (0.54) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL27698896 0.69 DCPS (0.57) KDM4EALDH1A1HSD17B10HPGDCASP1
Benzonaphthyridine SCHEMBL30897319 0.68 GPR3 (1.00) KDM4EALDH1A1HSD17B10HPGDCASP1

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-2018116072-A1 HETEROCYCLIC COMPOUNDS PI INDUSTRIES LTD. (IN) 2018-06-28 — — WO disclosed
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