SCHEMBL13946800

SCHEMBL13946800

COc1ccccc1CNc1nc(N2CCN(C)CC2)nc2c1cnn2C

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 9/20 0.60
▸ PIK3CA P42336 3/20 0.50
▸ PDE2A O00408 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ HTR6 P50406 1/20 0.48
▸ ATAD2 Q6PL18 1/20 0.48
▸ PDE5A O76074 1/20 0.48
▸ HRH4 Q9H3N8 1/20 0.48
▸ BCDIN3D Q7Z5W3 1/20 0.48
▸ TP53 P04637 1/20 0.48

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
SCHEMBL13944374 0.93 PIK3CA (0.58) HTR2CPIK3CAPDE2AKDM4EBCDIN3D
SCHEMBL13947036 0.92 PIK3CA (0.60) HTR2CPIK3CAPDE2AKDM4EBCDIN3D
SCHEMBL13944357 0.90 PIK3CA (0.61) HTR2CPIK3CAPDE2AKDM4EPDE5A
SCHEMBL13942977 0.86 PDE2A (0.69) HTR2CPDE2AHTR6ATAD2PDE5A
SCHEMBL13946820 0.83 HTR2C (0.70) HTR2CPDE2AHTR6ATAD2PDE5A
SCHEMBL13944362 0.82 HRH4 (0.63) HTR2CPIK3CAPDE2APDE5AHRH4
SCHEMBL13947032 0.79 BCDIN3D (0.61) HTR2CPDE2AKDM4EBCDIN3DTP53
SCHEMBL13944729 0.79 HTR2C (0.72) HTR2CPDE2APDE5AHRH4TP53
SCHEMBL13943321 0.79 TP53 (0.65) HTR2CPIK3CAPDE2AHRH4BCDIN3D
SCHEMBL13947132 0.78 HTR2C (0.59) HTR2CPDE2APDE5AHRH4

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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