SCHEMBL30517136

SCHEMBL30517136

CSc1ncc(C=O)c(NC2CCCC2C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LATS1 O95835 3/20 0.40
▸ LATS2 Q9NRM7 3/20 0.40
▸ CD38 P28907 2/20 0.35
▸ JAK3 P52333 3/20 0.34
▸ JAK2 O60674 2/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ GABBR2 O75899 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GABBR1 Q9UBS5 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ MAPK14 Q16539 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL19857362 1.00 LATS1 (0.40) LATS1LATS2CD38JAK3JAK2
SCHEMBL19857319 1.00 LATS1 (0.40) LATS1LATS2CD38JAK3JAK2
SCHEMBL22787381 0.86 JAK2 (0.43) LATS1LATS2JAK2MERTKJAK1
SCHEMBL19857412 0.86 JAK2 (0.43) LATS1LATS2JAK2MERTKJAK1
SCHEMBL22787375 0.86 JAK2 (0.43) LATS1LATS2JAK2MERTKJAK1
SCHEMBL24669670 0.86 JAK2 (0.43) LATS1LATS2JAK2MERTKJAK1
SCHEMBL22787377 0.85 JAK2 (0.42) LATS1LATS2JAK2MERTKJAK1
SCHEMBL22787376 0.85 JAK2 (0.42) LATS1LATS2JAK2MERTKJAK1
SCHEMBL2553480 0.83 KMT2A (0.49) JAK3JAK2MERTKJAK1MEN1
SCHEMBL574174 0.82 KMT2A (0.51) JAK3JAK2MERTKJAK1MEN1

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-116390921-A Heterocyclic compound with cyclin-dependent kinase inhibition activity, preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-07-04 — — CN disclosed
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