SCHEMBL30441512

SCHEMBL30441512

CC(C)(C)OC(=O)Nc1ccc(-c2cn(CC3CC3)c3ncnc(N)c23)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 2/20 0.53
▸ LCK P06239 1/20 0.53
▸ FYN P06241 1/20 0.53
▸ LYN P07948 1/20 0.53
▸ HCK P08631 1/20 0.53
▸ FRK P42685 1/20 0.53
▸ BLK P51451 1/20 0.53
▸ PTK6 Q13882 1/20 0.53
▸ BTK Q06187 3/20 0.51
▸ FLT3 P36888 13/20 0.51
▸ MET P08581 1/20 0.49
▸ AXL P30530 1/20 0.49
▸ MAP4K4 O95819 1/20 0.48

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
SCHEMBL22418413 1.00 SRC (0.53) SRCLCKFYNLYNHCK
SCHEMBL22418431 0.89 SRC (0.43) SRCLCKFYNLYNHCK
SCHEMBL30441610 0.89 SRC (0.43) SRCLCKFYNLYNHCK
SCHEMBL28663343 0.86 FLT3 (0.56) FLT3MAP4K4
SCHEMBL30569243 0.86 FLT3 (0.56) FLT3MAP4K4
SCHEMBL22418461 0.83 FLT3 (0.62) SRCLCKFYNLYNHCK
SCHEMBL22418414 0.82 BTK (0.55) SRCLCKFYNLYNHCK
SCHEMBL22418481 0.78 BTK (0.55) SRCLCKFYNLYNHCK
SCHEMBL3789116 0.76 SRC (0.56) SRCLCKFYNLYNHCK
SCHEMBL28671849 0.76 FLT3 (0.45) SRCLCKFYNLYNHCK

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-111689991-B Substituted heteroaryl compounds, compositions and uses thereof 习峰 2023-06-09 — — CN disclosed
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