SCHEMBL27600280

SCHEMBL27600280

CCn1c(=O)c2c(ncn2CCc2ccccc2)n(CC)c1=O

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 11/20 0.80
ALDH1A1 P00352 1/20 0.67
POLB P06746 1/20 0.61
HIF1A Q16665 1/20 0.61
PARN O95453 1/20 0.61
ADORA1 P30542 1/20 0.57
TSHR P16473 1/20 0.57

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
SCHEMBL27583105 0.91 CNOT7 (0.78) CNOT7ALDH1A1POLBHIF1APARN
SCHEMBL555093 0.87 ALDH1A1 (0.65) CNOT7ALDH1A1POLBHIF1AADORA1
SCHEMBL10815559 0.83 KMT2A (0.75) CNOT7ALDH1A1POLBADORA1TSHR
SCHEMBL28752105 0.82 CNOT7 (0.80) CNOT7ALDH1A1POLBHIF1APARN
SCHEMBL1947257 0.82 POLB (0.83) CNOT7ALDH1A1POLBHIF1APARN
SCHEMBL3186736 0.81 CNOT7 (0.61) CNOT7ALDH1A1POLBHIF1ATSHR
SCHEMBL28749916 0.81 ALDH1A1 (0.73) CNOT7ALDH1A1POLBHIF1APARN
SCHEMBL27600173 0.81 BRD4 (0.70) CNOT7ALDH1A1POLB
SCHEMBL516023 0.80 PDE4A (0.68) CNOT7
SCHEMBL17786242 0.80 ALDH1A1 (1.00) CNOT7ALDH1A1POLBHIF1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101293888-B Xanthine derivative, production and use thereof as a medicament BOEHRINGER INGELHEIM PHARMA 2013-09-25 CN disclosed
CN-101293888-A Xanthine derivative, production and use thereof as a medicament BOEHRINGER INGELHEIM PHARMA (DE) 2008-10-29 CN disclosed
CN-100408579-C Xanthine derivatives, process for their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2008-08-06 CN disclosed
CN-1492870-A Xanthine derivatives, process for their preparation and their use as pharmaceutical compositions ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-04-28 CN disclosed