SCHEMBL30180802

SCHEMBL30180802

CC(C)(O)Cn1cc(-c2ccc(N)c(F)c2)c2c(N)ncnc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NEK7 Q8TDX7 1/20 0.55
▸ RIPK2 O43353 1/20 0.53
▸ RET P07949 1/20 0.53
▸ FLT3 P36888 9/20 0.47
▸ SRC P12931 8/20 0.46
▸ LCK P06239 3/20 0.43
▸ TEK Q02763 2/20 0.43
▸ KDR P35968 1/20 0.43

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
SCHEMBL23966910 1.00 NEK7 (0.55) NEK7RIPK2RETFLT3SRC
SCHEMBL30569295 0.84 RET (0.56) NEK7RETFLT3SRCLCK
SCHEMBL29999015 0.83 SRC (0.62) RIPK2FLT3SRCLCKTEK
SCHEMBL23966916 0.83 SRC (0.62) RIPK2FLT3SRCLCKTEK
SCHEMBL30180780 0.82 RET (0.54) NEK7RETFLT3SRCLCK
SCHEMBL23966790 0.82 RET (0.54) NEK7RETFLT3SRCLCK
SCHEMBL23966781 0.80 FLT3 (0.58) RIPK2FLT3SRCLCKTEK
SCHEMBL29998305 0.80 FLT3 (0.58) RIPK2FLT3SRCLCKTEK
SCHEMBL20351783 0.79 RIPK2 (0.61) RIPK2FLT3SRC
SCHEMBL29999024 0.79 FLT3 (0.49) RIPK2FLT3SRCLCKTEK

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-115843272-A Inhibitors of NEK7 kinase 哈利亚治疗公司 2023-03-24 — — CN disclosed
EP-4146348-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2023-03-15 — — EP disclosed
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