SCHEMBL30442066

SCHEMBL30442066

Cn1cc(-c2ccc(OC(N)=O)c(C(C)(C)C)c2)c2c(N)ncnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.51
▸ AXL P30530 2/20 0.45
▸ MET P08581 1/20 0.45
▸ EIF2AK3 Q9NZJ5 16/20 0.45
▸ RIPK1 Q13546 3/20 0.43
▸ EIF2AK2 P19525 2/20 0.42
▸ EIF2AK1 Q9BQI3 2/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ YES1 P07947 1/20 0.42
▸ RET P07949 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C8 P10632 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NEK4 P51957 1/20 0.42
▸ MAP3K9 P80192 1/20 0.42

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
SCHEMBL28633632 0.85 EIF2AK3 (0.51) FLT3EIF2AK3RET
SCHEMBL22418477 0.80 TEK (0.52) FLT3AXLMETEIF2AK3LCK
SCHEMBL30569254 0.77 LCK (0.42) FLT3LCK
SCHEMBL30441772 0.75 RET (0.47) FLT3RET
SCHEMBL22418463 0.73 FLT3 (0.52) FLT3AXLMETLCK
SCHEMBL31264664 0.73 EIF2AK3 (0.50) AXLMETEIF2AK3RIPK1
SCHEMBL31264760 0.73 EIF2AK3 (0.50) AXLMETEIF2AK3RIPK1
SCHEMBL20351725 0.72 MET (0.48) FLT3AXLMETEIF2AK3LCK
SCHEMBL28772346 0.72 EIF2AK3 (0.44) FLT3AXLMETEIF2AK3RIPK1
SCHEMBL20351744 0.72 SRC (0.57) EIF2AK3LCKCYP3A4

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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