SCHEMBL13946789

SCHEMBL13946789

Cc1ccccc1CNc1nc(N2CCN(CI)CC2)nc2c1cnn2C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.59
▸ HTR2C P28335 13/20 0.51
▸ PDE2A O00408 1/20 0.49
▸ ATAD2 Q6PL18 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ BRD9 Q9H8M2 1/20 0.40
▸ TRPC5 Q9UL62 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
SCHEMBL13943327 0.91 TP53 (0.60) TP53HTR2CPDE2AATAD2PIK3CA
SCHEMBL13943321 0.89 TP53 (0.65) TP53HTR2CPDE2APIK3CAHRH4
SCHEMBL13943310 0.89 HTR2C (0.65) TP53HTR2CPDE2APDE5AHRH4
SCHEMBL13944749 0.83 TP53 (0.56) TP53HTR2CPDE2APIK3CA
SCHEMBL13942987 0.80 PDE2A (0.66) TP53HTR2CPDE2ABRD4
SCHEMBL13943712 0.79 PDE2A (0.63) TP53HTR2CPDE2ABRD4
SCHEMBL13942977 0.79 PDE2A (0.69) TP53HTR2CPDE2AATAD2PDE5A
SCHEMBL13943298 0.78 HTR2C (0.61) HTR2CPDE2APDE5AHRH4
SCHEMBL13946815 0.78 HTR2C (0.72) HTR2CPDE2APDE5AHRH4
SCHEMBL13946800 0.77 HTR2C (0.60) TP53HTR2CPDE2AATAD2PIK3CA

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-2025678-A1 Pyrazolo[3,4-d]pyrimidine compounds and their use as modulators of protein kinase Oncalis AG (CH) 2009-02-18 — — EP disclosed
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