SCHEMBL13947035

SCHEMBL13947035

CCN1CCN(c2nc(NCc3ccc(Cl)cc3)c3cnn(C)c3n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.64
▸ HTR2C P28335 6/20 0.59
▸ TP53 P04637 1/20 0.55
▸ PLK4 O00444 1/20 0.50
▸ HRH4 Q9H3N8 6/20 0.49
▸ HTR3A P46098 2/20 0.49
▸ BCDIN3D Q7Z5W3 3/20 0.46

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
SCHEMBL13947041 0.90 HTR2C (0.62) PDE2AHTR2CTP53HRH4
SCHEMBL13943298 0.90 HTR2C (0.61) PDE2AHTR2CHRH4HTR3ABCDIN3D
SCHEMBL13944350 0.89 PDE2A (0.68) PDE2AHTR2CTP53PLK4HRH4
SCHEMBL13944194 0.85 HTR2C (0.80) HTR2CBCDIN3D
SCHEMBL13947568 0.85 HTR2C (0.63) PDE2AHTR2CTP53HRH4
SCHEMBL13944192 0.84 HTR2C (0.60) PDE2AHTR2CHRH4HTR3ABCDIN3D
SCHEMBL13942987 0.84 PDE2A (0.66) PDE2AHTR2CTP53
SCHEMBL13946815 0.83 HTR2C (0.72) PDE2AHTR2CHRH4HTR3ABCDIN3D
SCHEMBL13944184 0.82 PDE2A (0.59) PDE2AHTR2CTP53HRH4HTR3A
SCHEMBL13947132 0.81 HTR2C (0.59) PDE2AHTR2CHRH4HTR3A

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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