SCHEMBL30833712

SCHEMBL30833712

Nc1ccc2c(N3CC(CO)C3)n[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.44
AXL P30530 3/20 0.42
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
PDPK1 O15530 2/20 0.35
AAK1 Q2M2I8 1/20 0.34
JAK2 O60674 1/20 0.33
GSK3B P49841 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ABL1 P00519 3/20 0.32
BCR P11274 3/20 0.32
IMPDH2 P12268 1/20 0.32

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
SCHEMBL29190564 1.00 MAPK1 (0.44) MAPK1AXLFGFR1FGFR2PDPK1
SCHEMBL30833676 0.81 AXL (0.45) MAPK1AXLFGFR1FGFR2PDPK1
SCHEMBL29190572 0.78 MAPK1 (0.43) MAPK1GSK3B
SCHEMBL30833644 0.78 MAPK1 (0.43) MAPK1GSK3B
SCHEMBL29190556 0.74 MAPK1 (0.54) MAPK1AXLPDPK1JAK2
SCHEMBL30833725 0.74 AXL (0.50) MAPK1AXLJAK2
SCHEMBL4785556 0.74 AXL (0.50) MAPK1AXLJAK2
SCHEMBL31144185 0.74 MAPK1 (0.50) MAPK1
SCHEMBL30833762 0.69 MAPK1 (0.44) MAPK1AXLFGFR1PDPK1JAK2
SCHEMBL30833743 0.69 KCNH2 (0.44) MAPK1AXLFGFR1JAK2

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