SCHEMBL13947037

SCHEMBL13947037

CCCN1CCN(c2nc(Nc3ccc(Cl)cc3)c3cnn(C)c3n2)CC1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 16/20 0.80
▸ HTR2A P28223 2/20 0.55
▸ BCDIN3D Q7Z5W3 1/20 0.53
▸ CCR4 P51679 1/20 0.52

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
SCHEMBL13944194 0.94 HTR2C (0.80) HTR2CHTR2ABCDIN3D
SCHEMBL13947563 0.92 HTR2C (0.83) HTR2CHTR2A
SCHEMBL13943286 0.88 HTR2C (0.85) HTR2CHTR2ABCDIN3D
SCHEMBL2861107 0.88 HTR2C (0.85) HTR2CHTR2ABCDIN3D
SCHEMBL13946809 0.84 HTR2C (0.68) HTR2C
SCHEMBL13944188 0.84 HTR2C (0.82) HTR2CHTR2ABCDIN3D
SCHEMBL3756996 0.82 HTR2C (1.00) HTR2CHTR2A
SCHEMBL13943676 0.82 KDM4E (0.62) HTR2CBCDIN3D
SCHEMBL13944740 0.81 HTR2C (0.81) HTR2CHTR2A
SCHEMBL13942982 0.81 HTR2C (0.74) HTR2C

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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