SCHEMBL30076215

SCHEMBL30076215

CCCC[C@](C)(CNC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(F)c(F)cc12

nearest known ligand 0.41

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
▸ BCDIN3D Q7Z5W3 1/20 0.38
▸ HSD17B10 Q99714 5/20 0.37
▸ CYP1A2 P05177 5/20 0.37
▸ CYP3A4 P08684 5/20 0.37
▸ CYP2C19 P33261 5/20 0.37
▸ TSHR P16473 5/20 0.37
▸ CYP2D6 P10635 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ ALOX15 P16050 2/20 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
SCHEMBL19924186 1.00 FLT3 (0.39) FLT3TYRO3MERTKGAS6BCDIN3D
SCHEMBL19924184 1.00 FLT3 (0.39) FLT3TYRO3MERTKGAS6BCDIN3D
SCHEMBL19924272 0.92 TSHR (0.40) FLT3TYRO3MERTKGAS6BCDIN3D
SCHEMBL30076198 0.92 TSHR (0.40) FLT3TYRO3MERTKGAS6BCDIN3D
SCHEMBL19924273 0.92 TSHR (0.40) FLT3TYRO3MERTKGAS6BCDIN3D
SCHEMBL19924222 0.89 CYP1A2 (0.47) HSD17B10CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL19924221 0.89 CYP1A2 (0.47) HSD17B10CYP1A2CYP3A4CYP2C19TSHR
SCHEMBL19924194 0.87 KDM4C (0.43) FLT3TYRO3MERTKGAS6BCDIN3D
SCHEMBL19924196 0.87 KDM4C (0.43) FLT3TYRO3MERTKGAS6BCDIN3D
SCHEMBL18109427 0.86 TLR8 (0.46) 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-109923106-B toll-like receptor modulator compounds 吉利德科学公司 2022-09-13 — — CN disclosed
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