SCHEMBL13947032

SCHEMBL13947032

CCNc1nc(NCc2ccccc2OC)c2cnn(C)c2n1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BCDIN3D Q7Z5W3 12/20 0.61
▸ PDE2A O00408 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ TP53 P04637 2/20 0.51
▸ HTR2C P28335 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ SLC2A1 P11166 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 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
SCHEMBL13947363 0.84 PDE2A (0.75) BCDIN3DPDE2AKDM4ETP53MAPT
SCHEMBL13944374 0.80 PIK3CA (0.58) BCDIN3DPDE2AKDM4ETP53HTR2C
SCHEMBL13946800 0.79 HTR2C (0.60) BCDIN3DPDE2AKDM4ETP53HTR2C
SCHEMBL13947036 0.79 PIK3CA (0.60) BCDIN3DPDE2AKDM4ETP53HTR2C
SCHEMBL13944357 0.78 PIK3CA (0.61) BCDIN3DPDE2AKDM4ETP53HTR2C
SCHEMBL13943301 0.77 TP53 (0.66) BCDIN3DPDE2ATP53HTR2CMAPT
SCHEMBL13943736 0.77 BCDIN3D (0.67) BCDIN3DHTR2C
SCHEMBL13942980 0.76 PDE2A (0.68) BCDIN3DPDE2AKDM4EMAPTMEN1
SCHEMBL22806425 0.76 BCDIN3D (1.00) BCDIN3D
SCHEMBL13943723 0.76 SHMT2 (0.66) BCDIN3D

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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