SCHEMBL28898414

SCHEMBL28898414

NC(=O)Oc1ccc(-c2cn(C3CC3)c3ncnc(Cl)c23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 7/20 0.52
▸ SRC P12931 6/20 0.51
▸ EGFR P00533 4/20 0.51
▸ ABL1 P00519 3/20 0.51
▸ ABL2 P42684 3/20 0.51
▸ HCK P08631 7/20 0.51
▸ FLT3 P36888 6/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ RGS12 O14924 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ GMNN O75496 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ LCK P06239 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ LYN P07948 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49

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
SCHEMBL22418418 0.84 RIPK2 (0.54) RIPK2SRCEGFRABL1ABL2
SCHEMBL30441772 0.81 RET (0.47) RIPK2SRCEGFRABL1ABL2
SCHEMBL20351599 0.81 SRC (0.61) RIPK2SRCEGFRABL1ABL2
SCHEMBL28677115 0.79 SRC (0.54) SRCFLT3LCKKDRTEK
SCHEMBL28669572 0.79 EGFR (0.56) RIPK2SRCEGFRABL1ABL2
SCHEMBL28669568 0.79 EGFR (0.56) RIPK2SRCEGFRABL1ABL2
SCHEMBL16752372 0.78 LCK (0.59) SRCEGFRABL1HCKFLT3
SCHEMBL2075445 0.77 SRC (0.63) RIPK2SRCEGFRABL1ABL2
SCHEMBL2072372 0.76 SRC (0.60) RIPK2SRCEGFRABL1ABL2
SCHEMBL28675253 0.76 LCK (0.39) RIPK2SRCFLT3LCKKDR

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 2 patents. 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
CN-111689991-A Substituted heteroaryl compounds, compositions and uses thereof 习峰 2020-09-22 — — CN disclosed
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