SCHEMBL29847820

SCHEMBL29847820

Nc1ccc(Nc2ncc3ccnc(-c4cc(OCCN5CCOCC5)ccn4)c3n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.46
▸ SRC P12931 2/20 0.43
▸ CDK1 P06493 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ EGFR P00533 3/20 0.41
▸ BTK Q06187 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ TTK P33981 1/20 0.40
▸ FLT3 P36888 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ PRKAB2 O43741 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PRKAG3 Q9UGI9 1/20 0.39
▸ PRKAG2 Q9UGJ0 1/20 0.39

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
SCHEMBL16822880 0.89 SYK (0.45) SYKSRCCDK1KDREGFR
SCHEMBL29847550 0.89 SYK (0.45) SYKSRCCDK1KDREGFR
SCHEMBL29847808 0.89 SRC (0.49) SYKSRCCDK1KDREGFR
SCHEMBL16823227 0.86 SYK (0.44) SYKSRCCDK1KDREGFR
SCHEMBL16515102 0.83 SYK (0.43) SYKSRCCDK1KDREGFR
SCHEMBL16823021 0.80 BACE1 (0.45) SYKSRCCDK1KDREGFR
SCHEMBL29846933 0.80 BACE1 (0.45) SYKSRCCDK1KDREGFR
SCHEMBL29848034 0.80 SRC (0.49) SYKSRCCDK1KDREGFR
SCHEMBL29847543 0.78 BACE1 (0.48) SYKSRCCDK1KDREGFR
SCHEMBL16515429 0.78 BACE1 (0.48) SYKSRCCDK1KDREGFR

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-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
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