SCHEMBL23634745

SCHEMBL23634745

COc1cc2ncc(N)c(N)c2cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDPK1 O15530 6/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DAPK3 O43293 1/20 0.39
PRKD3 O94806 1/20 0.39
FLT1 P17948 1/20 0.39
RPS6KA3 P51812 1/20 0.39
LRRK2 Q5S007 1/20 0.39
KIT P10721 1/20 0.38
CSF1R P07333 1/20 0.38
SLC2A1 P11166 1/20 0.38
P2RX3 P56373 2/20 0.37
P2RX2 Q9UBL9 2/20 0.37
AXL P30530 1/20 0.37
EGFR P00533 2/20 0.37
NSD2 O96028 1/20 0.37
CASP6 P55212 1/20 0.37
ERBB2 P04626 1/20 0.36

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
SCHEMBL29915269 0.84 POLB (0.40) POLBL3MBTL1PDPK1DAPK3PRKD3
SCHEMBL27092834 0.84 POLB (0.40) POLBL3MBTL1PDPK1DAPK3PRKD3
SCHEMBL21358444 0.80 PDPK1 (0.47) PDPK1MAPTNPSR1DAPK3PRKD3
SCHEMBL18114239 0.77 CSF1R (0.46) CSF1REGFRERBB2
SCHEMBL248603 0.75 PDPK1 (0.53) PDPK1DAPK3PRKD3FLT1RPS6KA3
SCHEMBL18114308 0.73 CSF1R (0.39) PDPK1CSF1REGFRERBB2
Ammonia Solution, Strong SCHEMBL19947552 0.72 PDPK1 (0.41) PDPK1FLT1KITCSF1REGFR
SCHEMBL19959513 0.72 AAK1 (0.43) CSF1REGFRERBB2
SCHEMBL27092833 0.72 EGFR (0.40) FLT1CSF1REGFRERBB2
SCHEMBL24659389 0.71 SLC2A1 (0.50) POLBL3MBTL1SLC2A1

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-2021139814-A1 QUINOLINE IMIDAZOLE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2021-07-15 WO disclosed