SCHEMBL22804161

SCHEMBL22804161

Cc1ccc2ccc(-c3nccs3)nc2n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
HSP90AA1 P07900 1/20 0.47
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
SYK P43405 8/20 0.43
SRC P12931 5/20 0.43
ZAP70 P43403 4/20 0.43
CDK2 P24941 1/20 0.41
PDPK1 O15530 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL13734821 0.79 RAB9A (0.50) RAB9AHSP90AA1SPHK2SPHK1SYK
SCHEMBL8673384 0.78 RAB9A (0.63) RAB9AHSP90AA1SYKSRCZAP70
SCHEMBL9287533 0.77 CCR1 (0.54) RAB9AHSP90AA1SPHK2SPHK1SYK
SCHEMBL25233346 0.72 HSP90AA1 (0.62) RAB9AHSP90AA1SPHK2SPHK1SYK
SCHEMBL7509409 0.71 CCR1 (0.58) RAB9A
SCHEMBL4902877 0.70 RAB9A (0.61) RAB9AHSP90AA1SYKSRCZAP70
SCHEMBL5792282 0.69 RAB9A (1.00) RAB9AHSP90AA1SYKPDPK1
SCHEMBL13830917 0.69 RAB9A (0.44) RAB9AHSP90AA1SPHK2SPHK1SYK
SCHEMBL10092529 0.68 CCR1 (0.56) RAB9AHSP90AA1SPHK2SPHK1SYK
SCHEMBL22804146 0.68 MEN1 (0.39)

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-110272417-B 2-methyl-1, 8-naphthyridine compound and preparation method and application thereof 五邑大学 2021-07-13 CN disclosed
WO-2020253415-A1 2-METHYL-1,8-NAPHTHYRIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREFOR 五邑大学 2020-12-24 WO disclosed
WO-2020253415-A1 2-METHYL-1,8-NAPHTHYRIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREFOR 五邑大学 2020-12-24 WO disclosed