SCHEMBL29076206

SCHEMBL29076206

COc1cccc(Cl)c1NC(=O)c1cnc(Cl)nc1NC1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYRO3 Q06418 8/20 0.48
▸ FLT3 P36888 4/20 0.48
▸ MERTK Q12866 4/20 0.48
▸ GAS6 Q14393 4/20 0.48
▸ AXL P30530 3/20 0.48
▸ CHRNA7 P36544 1/20 0.45
▸ LCK P06239 3/20 0.45
▸ MAPK14 Q16539 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ SELP P16109 4/20 0.43
▸ CDK2 P24941 3/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ PAK4 O96013 1/20 0.42
▸ CHEK2 O96017 1/20 0.42

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
SCHEMBL31612072 1.00 TYRO3 (0.48) TYRO3FLT3MERTKGAS6AXL
SCHEMBL31612059 0.96 LCK (0.46) TYRO3FLT3MERTKGAS6AXL
SCHEMBL31612108 0.95 TYRO3 (0.50) TYRO3FLT3MERTKGAS6AXL
SCHEMBL29076324 0.95 TYRO3 (0.50) TYRO3FLT3MERTKGAS6AXL
SCHEMBL31612058 0.91 TYRO3 (0.47) TYRO3FLT3MERTKGAS6AXL
SCHEMBL31612101 0.91 TYRO3 (0.48) TYRO3FLT3MERTKGAS6AXL
SCHEMBL31612116 0.87 LCK (0.48) TYRO3FLT3MERTKGAS6AXL
SCHEMBL31612105 0.86 LCK (0.60) CHRNA7LCKMAPK14EGFR
SCHEMBL29076139 0.86 LCK (0.60) CHRNA7LCKMAPK14EGFR
SCHEMBL30962894 0.84 CHRNA7 (0.48) CHRNA7MEN1MAPTKMT2AKEAP1

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-116514726-A Pyrimidine derivative and application thereof 四川大学 2023-08-01 — — CN disclosed
Send feedback