SCHEMBL22418418

SCHEMBL22418418

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 8/20 0.54
▸ HCK P08631 8/20 0.48
▸ FLT3 P36888 7/20 0.48
▸ RET P07949 1/20 0.47
▸ KIF5B P33176 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ CCDC6 Q16204 1/20 0.47
▸ SRC P12931 3/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ ABL2 P42684 1/20 0.46

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
SCHEMBL22418432 0.84 BTK (0.44) RIPK2HCKRETKCNH2SRC
SCHEMBL28898414 0.84 RIPK2 (0.52) RIPK2HCKFLT3KDRSRC
SCHEMBL22418417 0.81 NEK7 (0.51) RIPK2HCKFLT3RETKIF5B
SCHEMBL30441772 0.75 RET (0.47) RIPK2FLT3RETKIF5BKDR
SCHEMBL20351599 0.74 SRC (0.61) RIPK2KDRSRCABL1EGFR
SCHEMBL2071828 0.74 FLT3 (0.46) RIPK2FLT3RETKIF5BKDR
SCHEMBL16752356 0.74 SRC (0.63) HCKFLT3RETKDRSRC
SCHEMBL30056817 0.74 SRC (0.63) HCKFLT3RETKDRSRC
SCHEMBL16752372 0.73 LCK (0.59) HCKFLT3RETKDRSRC
SCHEMBL22418414 0.73 BTK (0.55) RIPK2HCKRETKCNH2SRC

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
WO-2020182188-A1 SUBSTITUTED HETEROARYL COMPOUND, COMPOSITION OF SAME, AND USES THEREOF 习峰 2020-09-17 — — WO disclosed
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