SCHEMBL30833630

SCHEMBL30833630

Nc1ccc2c(C3CCOCC3)n[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 3/20 0.41
▸ PRKAB2 O43741 3/20 0.40
▸ PRKAG1 P54619 3/20 0.40
▸ PRKAA2 P54646 3/20 0.40
▸ PRKAA1 Q13131 3/20 0.40
▸ PRKAG3 Q9UGI9 3/20 0.40
▸ PRKAG2 Q9UGJ0 3/20 0.40
▸ PRKAB1 Q9Y478 3/20 0.40
▸ PDPK1 O15530 3/20 0.37
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ SGK1 O00141 1/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34

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
SCHEMBL29190706 1.00 AXL (0.41) AXLPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6745979 0.78 KDM4E (0.43) PDPK1FGFR1GSK3BGSK3AKDM4E
SCHEMBL30619334 0.78 KDM4E (0.43) PDPK1FGFR1GSK3BGSK3AKDM4E
SCHEMBL22890269 0.76 GSK3B (0.46) AXLPDPK1AAK1JAK2FGFR1
SCHEMBL31422750 0.76 GSK3B (0.46) AXLPDPK1AAK1JAK2FGFR1
SCHEMBL2463747 0.75 GSK3B (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3524623 0.74 PDPK1 (0.46) AXLPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL28400373 0.73 PDPK1 (0.49) AXLPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL25274990 0.73 GSK3B (0.43) AXLPDPK1AAK1JAK2FGFR1
SCHEMBL2471366 0.73 GSK3B (0.47) AXLPRKAB2PRKAG1PRKAA2PRKAA1

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-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 — — CN disclosed
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