SCHEMBL13947568

SCHEMBL13947568

CCCN1CCN(c2nc(NCc3ccc(F)cc3)c3cnn(C)c3n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 16/20 0.63
▸ TP53 P04637 1/20 0.54
▸ PDE2A O00408 2/20 0.52
▸ HRH4 Q9H3N8 1/20 0.51

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 0.93 HTR2C (0.62) HTR2CTP53PDE2AHRH4
SCHEMBL13944359 0.91 HTR2C (0.77) HTR2CTP53PDE2AHRH4
SCHEMBL13944192 0.90 HTR2C (0.60) HTR2CPDE2AHRH4
SCHEMBL13944729 0.90 HTR2C (0.72) HTR2CTP53PDE2AHRH4
SCHEMBL13944731 0.88 HTR2C (0.72) HTR2CTP53PDE2AHRH4
SCHEMBL13947563 0.87 HTR2C (0.83) HTR2C
SCHEMBL13944721 0.86 HTR2C (0.74) HTR2CTP53PDE2A
SCHEMBL13947035 0.85 PDE2A (0.64) HTR2CTP53PDE2AHRH4
SCHEMBL13944177 0.83 HTR2C (0.57) HTR2CTP53HRH4
SCHEMBL13943298 0.82 HTR2C (0.61) HTR2CPDE2AHRH4

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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