SCHEMBL29832003

SCHEMBL29832003

C=C(OCC)c1ncnc(Cl)c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.35
MAPT P10636 4/20 0.35
POLB P06746 1/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 3/20 0.33
ATM Q13315 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR9 Q9NR96 1/20 0.33
ENPP1 P22413 1/20 0.32
DGAT1 O75907 1/20 0.32
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL28855943 1.00 GALR3 (0.35) GALR3MAPTPOLBHTTALDH1A1
SCHEMBL1661075 0.85 ALDH1A1 (0.33) MAPTHTTALDH1A1LMNANPC1
SCHEMBL17801363 0.82 ALDH1A1 (0.32) MAPTHTTALDH1A1NPC1TP53
SCHEMBL20165931 0.82 ALDH1A1 (0.35) MAPTHTTALDH1A1NPC1TP53
SCHEMBL28855951 0.82 ALDH1A1 (0.43) MAPTHTTALDH1A1ATML3MBTL1
SCHEMBL21542864 0.77 HTT (0.40) GALR3MAPTHTTGAARAB9A
SCHEMBL3951768 0.74 MAPT (0.35) MAPTHTTALDH1A1L3MBTL1NPC1
SCHEMBL1660845 0.71 DGAT1 (0.36) MAPTHTTALDH1A1RAB9ALMNA
SCHEMBL1159252 0.71 NOS3 (0.33) MAPTPOLBALDH1A1RAB9ANPC1
SCHEMBL15109519 0.71 MAPT (0.37) MAPTHTTALDH1A1RAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989097-A Preparation method of 5-amino-6-chloropyrimidine-4-carboxylic acid ethyl ester 无锡捷化医药科技有限公司 2022-09-02 CN claimed
CN-114989097-A Preparation method of 5-amino-6-chloropyrimidine-4-carboxylic acid ethyl ester 无锡捷化医药科技有限公司 2022-09-02 CN disclosed
CN-114989097-A Preparation method of 5-amino-6-chloropyrimidine-4-carboxylic acid ethyl ester 无锡捷化医药科技有限公司 2022-09-02 CN disclosed