SCHEMBL28671849

SCHEMBL28671849

CC(C)(C)OC(=O)Nc1ccc(-c2cn(CCO)c3ncnc(Cl)c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 13/20 0.45
▸ ADK P55263 1/20 0.44
▸ LCK P06239 2/20 0.42
▸ SRC P12931 2/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ TEK Q02763 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ HCK P08631 1/20 0.42
▸ FRK P42685 1/20 0.42
▸ BLK P51451 1/20 0.42
▸ PTK6 Q13882 1/20 0.42
▸ CYP17A1 P05093 2/20 0.42
▸ MAPKAPK2 P49137 1/20 0.41

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
SCHEMBL28659942 0.89 FLT3 (0.44) FLT3ADKLCKSRCMAP4K4
SCHEMBL30569263 0.89 MAP4K4 (0.42) FLT3ADKLCKSRCMAP4K4
SCHEMBL30569260 0.89 FLT3 (0.44) FLT3ADKLCKSRCMAP4K4
SCHEMBL22418431 0.87 SRC (0.43) FLT3ADKLCKSRCMAP4K4
SCHEMBL30441610 0.87 SRC (0.43) FLT3ADKLCKSRCMAP4K4
SCHEMBL22418417 0.82 NEK7 (0.51) FLT3LCKSRCFYNLYN
SCHEMBL28663343 0.78 FLT3 (0.56) FLT3MAP4K4
SCHEMBL30569243 0.78 FLT3 (0.56) FLT3MAP4K4
SCHEMBL22418461 0.76 FLT3 (0.62) FLT3LCKSRCMAP4K4FYN
SCHEMBL22418413 0.76 SRC (0.53) FLT3LCKSRCMAP4K4FYN

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-113683629-A Substituted heteroaryl compounds, compositions and uses thereof 北京范恩柯尔生物科技有限公司 2021-11-23 — — CN disclosed
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