SCHEMBL13288688

SCHEMBL13288688

Cc1cnn2c(NCCCCNC(=O)C(C)Oc3ccccc3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GSK3B P49841 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ CDK2 P24941 4/20 0.42
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ LTB4R Q15722 1/20 0.36

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
SCHEMBL13120125 0.91 GSK3B (0.55) MAPTALDH1A1GSK3BMEN1KMT2A
SCHEMBL13120045 0.89 GSK3B (0.55) MAPTALDH1A1GSK3BMEN1KMT2A
SCHEMBL13288955 0.86 GSK3B (0.45) MAPTALDH1A1GSK3BMEN1KMT2A
SCHEMBL13120256 0.86 GSK3B (0.57) MAPTALDH1A1GSK3BMEN1KMT2A
SCHEMBL13289193 0.82 GSK3B (0.47) MAPTALDH1A1GSK3BMEN1KMT2A
SCHEMBL13289249 0.82 GSK3B (0.46) MAPTALDH1A1GSK3BMEN1KMT2A
SCHEMBL13288841 0.81 GSK3B (0.47) MAPTALDH1A1GSK3BMEN1KMT2A
SCHEMBL14545258 0.80 GSK3B (0.46) MAPTALDH1A1GSK3BMEN1KMT2A
SCHEMBL13120380 0.80 GSK3B (0.53) MAPTGSK3BKDM4EPOLBCDK2
SCHEMBL13119471 0.79 CDK2 (0.64) GSK3BKDM4ECDK2RECQL

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
EP-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
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