SCHEMBL28198357

SCHEMBL28198357

COc1cc2ncnc(NC(=O)c3cccc(O)c3)c2cc1OC

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.64
▸ FGFR1 P11362 2/20 0.64
▸ FLT1 P17948 2/20 0.64
▸ RET P07949 1/20 0.64
▸ CDK2 P24941 1/20 0.64
▸ PIK3R1 P27986 1/20 0.64
▸ EPHB2 P29323 1/20 0.64
▸ KIF5B P33176 1/20 0.64
▸ TTBK1 Q5TCY1 1/20 0.64
▸ MAPK14 Q16539 6/20 0.64
▸ EGFR P00533 4/20 0.64
▸ AURKB Q96GD4 2/20 0.63
▸ AURKA O14965 1/20 0.63
▸ NOD1 Q9Y239 1/20 0.63
▸ AKR1C4 P17516 1/20 0.56
▸ AKR1C3 P42330 1/20 0.56
▸ AKR1C2 P52895 1/20 0.56
▸ AKR1C1 Q04828 1/20 0.56

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
SCHEMBL29220499 0.88 AURKB (0.79) KDRRETMAPK14EGFRAURKB
SCHEMBL27718809 0.87 KDR (0.81) KDRMAPK14EGFRAURKBAURKA
SCHEMBL27793599 0.87 KDR (0.65) KDRRETKIF5BMAPK14EGFR
Hydrochloric Acid SCHEMBL27587585 0.86 EGFR (0.66) KDRRETKIF5BMAPK14EGFR
SCHEMBL27463430 0.85 MAPK14 (0.69) KDRMAPK14EGFRAURKBAURKA
Hydrochloric Acid SCHEMBL28040048 0.81 AURKB (0.58) KDRRETEPHB2KIF5BMAPK14
Hydrochloric Acid SCHEMBL27451004 0.81 KDR (0.67) KDRRETKIF5BMAPK14EGFR
SCHEMBL27433932 0.81 EGFR (0.62) KDRMAPK14EGFRAURKBAURKA
SCHEMBL30249695 0.78 KDR (1.00) KDRFGFR1FLT1RETCDK2
SCHEMBL1180103 0.78 KDR (1.00) KDRFGFR1FLT1RETCDK2

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-102272291-B Differentiation of human embryonic stem cells into the pancreatic endocrine lineage 詹森生物科技公司 2018-01-16 — — CN claimed
Send feedback