SCHEMBL30833676

SCHEMBL30833676

C[C@@H]1CN(c2n[nH]c3cc(N)ccc23)C[C@H](C)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.45
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PDPK1 O15530 2/20 0.35
GSK3B P49841 1/20 0.34
PTPN11 Q06124 2/20 0.34
PRMT5 O14744 1/20 0.34
PLK4 O00444 1/20 0.34
FLT3 P36888 1/20 0.34
AURKB Q96GD4 1/20 0.34
FGFR1 P11362 2/20 0.33
FGFR2 P21802 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
JAK2 O60674 1/20 0.33
PIM1 P11309 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 0.81 MAPK1 (0.44) AXLPDPK1GSK3BFGFR1FGFR2
SCHEMBL30833712 0.81 MAPK1 (0.44) AXLPDPK1GSK3BFGFR1FGFR2
SCHEMBL30833670 0.78 HTT (0.54) SIGMAR1LMNA
SCHEMBL4785556 0.77 AXL (0.50) AXLAURKBJAK2MAPK1KMT2A
SCHEMBL30833725 0.77 AXL (0.50) AXLAURKBJAK2MAPK1KMT2A
SCHEMBL29190556 0.74 MAPK1 (0.54) AXLPDPK1JAK2MAPK1
SCHEMBL29190522 0.72 KCNH2 (0.44) AXLAURKBFGFR1JAK2PIM1
SCHEMBL30833743 0.72 KCNH2 (0.44) AXLAURKBFGFR1JAK2PIM1
SCHEMBL29190529 0.71 AXL (0.44) AXLPDPK1GSK3BAURKBJAK2
SCHEMBL922069 0.68 PDPK1 (0.65) AXLPDPK1AURKBFGFR1FGFR2

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