SCHEMBL30441772

SCHEMBL30441772

CC(C)(C)c1cc(-c2cn(C3CC3)c3ncnc(Cl)c23)ccc1OC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 3/20 0.47
▸ KIF5B P33176 3/20 0.47
▸ KDR P35968 2/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ CCDC6 Q16204 1/20 0.47
▸ RIPK2 O43353 11/20 0.46
▸ NEK7 Q8TDX7 3/20 0.43
▸ SRC P12931 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ABL2 P42684 1/20 0.41
▸ FLT3 P36888 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
SCHEMBL30569254 0.82 LCK (0.42) SRCFLT3
SCHEMBL28898414 0.81 RIPK2 (0.52) KDRRIPK2SRCABL1EGFR
SCHEMBL29175934 0.76 RIPK2 (0.64) RETKIF5BKDRKCNH2CCDC6
SCHEMBL30442066 0.75 FLT3 (0.51) RETFLT3
SCHEMBL22418418 0.75 RIPK2 (0.54) RETKIF5BKDRKCNH2CCDC6
SCHEMBL22418417 0.73 NEK7 (0.51) RETKIF5BKDRKCNH2CCDC6
SCHEMBL20351599 0.72 SRC (0.61) KDRRIPK2SRCABL1EGFR
SCHEMBL2074527 0.71 ABL1 (0.50) RETKIF5BKDRKCNH2CCDC6
SCHEMBL2074179 0.71 SRC (0.59) RETKIF5BKDRKCNH2CCDC6
SCHEMBL28928812 0.71 SRC (0.66) RIPK2SRCABL1EGFRABL2

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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