SCHEMBL13289236

SCHEMBL13289236

C=Cc1cnn2c(NCc3cccnc3)cc(C3CCN(C(=O)Nc4cc(Cl)ccc4OC)CC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.48
▸ MAPT P10636 4/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ RBP4 P02753 6/20 0.43
▸ THRB P10828 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ NAMPT P43490 1/20 0.40

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
SCHEMBL13121505 0.90 GSK3B (0.61) GSK3BMAPTMAPK1
SCHEMBL13289495 0.87 GSK3B (0.48) GSK3BRBP4CHEK1
SCHEMBL13289494 0.83 GSK3B (0.51) GSK3BCHEK1
SCHEMBL13121549 0.83 GSK3B (0.59) GSK3BMAPTTP53POLB
SCHEMBL13288641 0.81 GSK3B (0.53) GSK3BCHEK1
SCHEMBL14545243 0.81 GSK3B (0.57) GSK3BCHEK1
SCHEMBL14418687 0.80 GSK3B (0.56) GSK3BMAPTALDH1A1CHEK1
SCHEMBL13288941 0.79 KMT2A (0.55) GSK3BTP53POLBCHEK1NAMPT
SCHEMBL13121514 0.78 GSK3B (0.64) GSK3B
SCHEMBL13288736 0.78 GSK3B (0.53) GSK3BCHEK1

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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