SCHEMBL13947571

SCHEMBL13947571

CC(C)CCNc1nc(NCc2ccc(Cl)cc2)c2cnn(C)c2n1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.67
▸ TP53 P04637 2/20 0.62
▸ MAPT P10636 1/20 0.62
▸ BCDIN3D Q7Z5W3 14/20 0.62
▸ PLK4 O00444 1/20 0.59

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
SCHEMBL13944705 0.90 TP53 (0.64) PDE2ATP53MAPTBCDIN3D
SCHEMBL13944752 0.89 TP53 (0.74) TP53MAPTBCDIN3D
SCHEMBL13944372 0.86 MAPT (0.80) TP53MAPTBCDIN3D
SCHEMBL13947033 0.85 PDE2A (0.67) PDE2ATP53BCDIN3DPLK4
SCHEMBL13947561 0.84 PDE2A (0.76) PDE2ATP53BCDIN3DPLK4
SCHEMBL13947566 0.82 PDE2A (0.62) PDE2ATP53BCDIN3DPLK4
SCHEMBL13944370 0.78 PDE2A (0.65) PDE2ATP53BCDIN3DPLK4
SCHEMBL22805928 0.76 BCDIN3D (1.00) BCDIN3D
SCHEMBL29582699 0.76 BCDIN3D (1.00) BCDIN3D
SCHEMBL13944173 0.76 HTR2C (0.82) PDE2ATP53MAPTBCDIN3DPLK4

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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