SCHEMBL13304699

SCHEMBL13304699

Bc1cnn2c(Cl)cc(C3CCCCC3C)nc12

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PLAT P00750 1/20 0.30

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
SCHEMBL12953405 0.85 CDK2 (0.40) KDM4EALDH1A1MAPTRAB9APLAT
SCHEMBL13304791 0.81 GSK3B (0.39) ALDH1A1MAPT
SCHEMBL12952988 0.77 PDE10A (0.50) —
SCHEMBL13146264 0.72 CDK2 (0.37) —
SCHEMBL13304835 0.72 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL13304711 0.70 HTR6 (0.35) —
SCHEMBL14597986 0.69 PDE10A (0.33) —
SCHEMBL13305063 0.68 PSD (0.40) KDM4EALDH1A1MAPTRAB9A
SCHEMBL13304689 0.67 MAPT (0.35) KDM4EALDH1A1MAPTRAB9A
SCHEMBL13305010 0.66 CCNT1 (0.41) KDM4EALDH1A1MAPTRAB9A

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-1537116-B1 PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES SCHERING CORP (US) 2010-06-02 — — EP disclosed
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