SCHEMBL28528348

SCHEMBL28528348

O=c1[nH]c(CCl)nc2cn[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ RECQL P46063 1/20 0.42
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CDC7 O00311 6/20 0.33
▸ CCNE1 P24864 6/20 0.33
▸ CDK2 P24941 6/20 0.33
▸ ROCK1 Q13464 6/20 0.33
▸ DBF4 Q9UBU7 6/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL18742150 0.83 TNKS2 (0.50) KDM4ESMN1; SMN2HTTCDC7CCNE1
SCHEMBL2457018 0.80 KDM4C (0.52) KDM4ESMN1; SMN2HTTKMT2ACDC7
SCHEMBL29540459 0.77 NOS1 (0.36) SMN1; SMN2HTTPTK2ALDH1A1
SCHEMBL3837505 0.73 PNP (0.48) KDM4ELMNAKMT2AMEN1ALDH1A1
SCHEMBL4141412 0.73 CDC7 (0.47) KDM4ERAB9ASMN1; SMN2LMNAHTT
SCHEMBL15651633 0.68 ROCK2 (0.46) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL1271080 0.67 TNKS (0.58) RAB9ASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL21072845 0.67 KDM4E (0.54) KDM4ERECQLLMNAKMT2ATNKS2
SCHEMBL17710780 0.67 KDM4C (0.68) KDM4ERECQLKDM4CALDH1A1MAPT
SCHEMBL1685046 0.67 TNKS2 (0.70) KDM4ERECQLRAB9ASMN1; SMN2LMNA

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-107226807-B Tankyrase inhibitors 北京四环制药有限公司 2021-01-01 — — CN disclosed
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