SCHEMBL29847550

SCHEMBL29847550

c1cc(OCCN2CCOCC2)cc(-c2nccc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.45
▸ BACE1 P56817 2/20 0.44
▸ AIMP2 Q13155 1/20 0.43
▸ SRC P12931 2/20 0.41
▸ ZAP70 P43403 1/20 0.41
▸ EGFR P00533 2/20 0.41
▸ BTK Q06187 1/20 0.41
▸ AXL P30530 1/20 0.41
▸ CDK1 P06493 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ TTK P33981 2/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ DAPK1 P53355 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ BRAF P15056 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 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 1.00 SYK (0.45) SYKBACE1AIMP2SRCZAP70
SCHEMBL16823227 0.95 SYK (0.44) SYKBACE1AIMP2SRCZAP70
SCHEMBL29846933 0.91 BACE1 (0.45) SYKBACE1AIMP2SRCZAP70
SCHEMBL16823021 0.91 BACE1 (0.45) SYKBACE1AIMP2SRCZAP70
SCHEMBL29847820 0.89 SYK (0.46) SYKBACE1SRCEGFRBTK
SCHEMBL16515228 0.89 AIMP2 (0.48) SYKBACE1AIMP2SRCEGFR
SCHEMBL16823103 0.89 ZAP70 (0.42) SRCZAP70EGFRBTKCDK1
SCHEMBL29847941 0.89 AIMP2 (0.48) SYKBACE1AIMP2SRCEGFR
SCHEMBL29847827 0.89 AIMP2 (0.46) SYKBACE1AIMP2SRCZAP70
SCHEMBL16823092 0.89 AIMP2 (0.46) SYKBACE1AIMP2SRCZAP70

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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