SCHEMBL28334232

SCHEMBL28334232

NCc1ccc(-c2nc(Cc3cncnc3)cs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
KLKB1 P03952 8/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
KLK1 P06870 8/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
CYP2A6 P11509 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ASIC3 Q9UHC3 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
SCHEMBL28146103 0.81 RAB9A (0.51) RAB9ANPC1POLBGAAGFER
SCHEMBL28333414 0.77 LOXL2 (0.47) RAB9ANPC1POLBGAAGFER
SCHEMBL27996204 0.76 GFER (0.70) RAB9ANPC1POLBGAAGFER
SCHEMBL28220130 0.74 GFER (0.66) RAB9ANPC1POLBGAAGFER
SCHEMBL22221787 0.70 RAB9A (0.69) RAB9ANPC1POLBGAAGFER
SCHEMBL17080165 0.69 HRH3 (0.64) LOXL2CYP2A6HRH3ASIC3
SCHEMBL28938187 0.68 LMNA (0.52) RAB9ANPC1POLBGAAGFER
SCHEMBL3820711 0.68 GFER (0.72) RAB9ANPC1POLBGAAGFER
SCHEMBL27402148 0.68 LOXL2 (0.44) RAB9ANPC1POLBGAAGFER
SCHEMBL27923764 0.68 GFER (0.61) RAB9ANPC1POLBGAAGFER

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
CN-108003151-B N- hetervaromatic methyl pyrimidinamine compound and the preparation method and application thereof 湖南化工研究院有限公司 2019-11-05 CN disclosed
CN-108003151-A N- hetervaromatic methyl pyrimidinamine compounds and preparation method and application 湖南化工研究院有限公司 2018-05-08 CN disclosed