SCHEMBL13947204

SCHEMBL13947204

Cc1ccccc1Nc1nc(N2CCC(N3CCCCC3)CC2)nc2c1cnn2C

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 13/20 0.58
▸ PIK3CA P42336 2/20 0.52
▸ TP53 P04637 1/20 0.48
▸ CCR4 P51679 1/20 0.48
▸ MAPK14 Q16539 1/20 0.45

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
SCHEMBL13943325 0.89 HTR2C (0.65) HTR2CPIK3CATP53MAPK14
SCHEMBL13942984 0.84 HTR2C (0.82) HTR2CPIK3CACCR4
SCHEMBL13942959 0.84 PIK3CA (0.64) HTR2CPIK3CACCR4
SCHEMBL13944754 0.82 HTR2C (0.53) HTR2CPIK3CACCR4
SCHEMBL13943326 0.81 HTR2C (0.68) HTR2CPIK3CATP53
SCHEMBL13942985 0.81 PIK3CA (0.62) HTR2CPIK3CACCR4
SCHEMBL13944733 0.80 PIK3CA (0.83) HTR2CPIK3CACCR4
SCHEMBL13946788 0.80 PIK3CA (0.61) HTR2CPIK3CACCR4
SCHEMBL13943704 0.80 HTR2C (0.60) HTR2CPIK3CATP53
SCHEMBL13942986 0.78 CTNNB1 (0.48) HTR2CPIK3CACCR4

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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