SCHEMBL29099894

SCHEMBL29099894

CCCCC(C)(CNC(=O)c1cnn(C)c1)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(Br)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.39
▸ TYRO3 Q06418 1/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ GAS6 Q14393 1/20 0.39
▸ KDR P35968 2/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ BCDIN3D Q7Z5W3 2/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ CYP1A2 P05177 4/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ CYP2C19 P33261 4/20 0.36
▸ TSHR P16473 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL29099891 1.00 FLT3 (0.39) FLT3TYRO3MERTKGAS6KDR
SCHEMBL25377444 0.85 FLT3 (0.39) FLT3TYRO3MERTKGAS6KDR
SCHEMBL29099897 0.81 AURKB (0.36) ALDH1A1SMN1; SMN2KDM4EHPGDMEN1
SCHEMBL29099899 0.81 AURKB (0.36) ALDH1A1SMN1; SMN2KDM4EHPGDMEN1
SCHEMBL23025599 0.79 FLT3 (0.41) FLT3TYRO3MERTKGAS6BCDIN3D
SCHEMBL30076198 0.79 TSHR (0.40) FLT3TYRO3MERTKGAS6KDR
SCHEMBL19924273 0.79 TSHR (0.40) FLT3TYRO3MERTKGAS6KDR
SCHEMBL19924272 0.79 TSHR (0.40) FLT3TYRO3MERTKGAS6KDR
SCHEMBL19924186 0.78 FLT3 (0.39) FLT3TYRO3MERTKGAS6BCDIN3D
SCHEMBL19924184 0.78 FLT3 (0.39) FLT3TYRO3MERTKGAS6BCDIN3D

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-116969934-A Pyrimido aromatic ring compounds and application thereof in medicines 广东东阳光药业股份有限公司 2023-10-31 — — CN disclosed
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