SCHEMBL21494935

SCHEMBL21494935

Cc1sc(-c2ccccc2)c(N)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 7/20 0.49
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
LIMK1 P53667 1/20 0.44
GRM5 P41594 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX5 P09917 1/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
TDO2 P48775 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL13713793 0.80 GRM6 (0.47) GRM6MAPTALDH1A1LMNALIMK1
SCHEMBL17107090 0.77 ALDH1A1 (0.50) GRM6MAPTALDH1A1LMNALIMK1
SCHEMBL10690630 0.77 ALOX5 (0.41) GRM6MAPTALDH1A1LMNALIMK1
SCHEMBL26724795 0.75 ALOX5 (0.40) GRM6MAPTALDH1A1LMNALIMK1
SCHEMBL16996824 0.72 GRM6 (0.52) GRM6MAPTALDH1A1LMNALIMK1
SCHEMBL10698380 0.71 ALOX5 (0.48) GRM6MAPTALDH1A1LIMK1GRM5
SCHEMBL13398540 0.71 GRM6 (0.49) GRM6MAPTALDH1A1LMNAGRM5
SCHEMBL14190044 0.70 GRM6 (0.50) GRM6MAPTALDH1A1LMNALIMK1
SCHEMBL10109209 0.70 ALOX5 (0.42) GRM6MAPTALDH1A1LMNACYP1A2
SCHEMBL13125888 0.68 GRM6 (0.38) GRM6MAPTALDH1A1LIMK1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3781565-A1 2-METHYL-AZA-QUINAZOLINES Bayer Pharma Aktiengesellschaft (DE) 2021-02-24 EP disclosed
WO-2019201848-A1 2-METHYL-AZA-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-24 WO disclosed