SCHEMBL13942959

SCHEMBL13942959

Cc1cccc(Nc2nc(N3CCC(N4CCCCC4)CC3)nc3c2cnn3C)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.64
▸ HTR2C P28335 11/20 0.60
▸ CCR4 P51679 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ HTT P42858 1/20 0.49

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
SCHEMBL13942985 0.90 PIK3CA (0.62) PIK3CAHTR2CCCR4KDM4E
SCHEMBL13946788 0.88 PIK3CA (0.61) PIK3CAHTR2CCCR4
SCHEMBL13944733 0.88 PIK3CA (0.83) PIK3CAHTR2CCCR4
SCHEMBL13942984 0.85 HTR2C (0.82) PIK3CAHTR2CCCR4
SCHEMBL13942986 0.85 CTNNB1 (0.48) PIK3CAHTR2CCCR4
SCHEMBL13947204 0.84 HTR2C (0.58) PIK3CAHTR2CCCR4
SCHEMBL13947359 0.81 HTR2C (0.62) PIK3CAHTR2CLMNAKDM4E
SCHEMBL2857218 0.79 PIK3CA (0.74) PIK3CAHTR2C
SCHEMBL13944361 0.78 PIK3CA (1.00) PIK3CAHTR2C
SCHEMBL13944754 0.77 HTR2C (0.53) PIK3CAHTR2CCCR4HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009023978-A1 PYRAZOLO [3,4 -D] PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF PROTEIN KINASE ONCALIS AG (CH) 2009-02-26 — — WO disclosed
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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