SCHEMBL30686995

SCHEMBL30686995

Clc1cnc(-c2cccnn2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 2/20 0.34
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
FLT3 P36888 1/20 0.33
GOT1 P17174 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
HPGDS O60760 1/20 0.32
AHR P35869 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.31
CCR2 P41597 1/20 0.30
KDM4E B2RXH2 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL3406541 0.81 TP53 (0.46) GRM5L3MBTL1TP53CCR1CCR5
SCHEMBL27946276 0.75 TP53 (0.37) GRM5L3MBTL1TP53CCR1CCR5
SCHEMBL931676 0.74 F7 (0.46) GRM5L3MBTL1EGLN1HPGDSSMN1; SMN2
SCHEMBL25493617 0.72 TP53 (0.38) GRM5L3MBTL1TP53CCR1CCR5
SCHEMBL30792004 0.72 GOT1 (0.46) GRM5L3MBTL1TP53CCR1CCR5
SCHEMBL29442588 0.72 GOT1 (0.46) GRM5L3MBTL1TP53CCR1CCR5
SCHEMBL1456807 0.72 GOT1 (0.46) GRM5L3MBTL1TP53CCR1CCR5
SCHEMBL30661720 0.71 L3MBTL1 (0.49) GRM5L3MBTL1FLT3SMN1; SMN2NPC1
SCHEMBL218007 0.71 L3MBTL1 (0.49) GRM5L3MBTL1FLT3SMN1; SMN2NPC1
SCHEMBL869236 0.69 GOT1 (0.39) GRM5L3MBTL1TP53CCR1CCR5

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-117247395-A PDE4B inhibitors 武汉人福创新药物研发中心有限公司 2023-12-19 CN disclosed