SCHEMBL29565434

SCHEMBL29565434

CC(C)(C)C(=O)Nc1cc(Cl)nc(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KLF5 Q13887 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTT P42858 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CETP P11597 1/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ S1PR2 O95136 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PDK1 Q15118 3/20 0.35
▸ PDK2 Q15119 3/20 0.35

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
SCHEMBL18260522 1.00 KDM4E (0.39) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL27141821 0.82 ATR (0.42) MEN1KMT2A
SCHEMBL29565827 0.79 KDM4E (0.38) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL16856891 0.79 KDM4E (0.38) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL18383188 0.76 ALDH1A1 (0.43) KDM4EMEN1KMT2ARAB9AMITF
SCHEMBL2587336 0.73 S1PR2 (0.62) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL31748884 0.72 RAB9A (0.43) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL25137117 0.71 ATR (0.40) MEN1KMT2ALMNAPOLB
SCHEMBL25136736 0.71 ATR (0.40) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL8365771 0.70 L3MBTL1 (0.42) KDM4ERAB9AALDH1A1HTTL3MBTL1

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-111362975-B Naphthyridine compounds as JAK kinase inhibitors 施万生物制药研发IP有限责任公司 2022-04-05 — — CN disclosed
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