SCHEMBL10526290

SCHEMBL10526290

CC(C)C1CC(=O)Nc2nc(C#N)c3ncccc3c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ ELANE P08246 5/20 0.34
▸ SYK P43405 4/20 0.34
▸ PDE9A O76083 3/20 0.32
▸ CCNB2 O95067 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ CCNB3 Q8WWL7 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL10526463 0.86 ALDH1A1 (0.34) TNKSTNKS2ELANESYKPDE9A
SCHEMBL10527226 0.84 TNKS (0.38) TNKSTNKS2SYKCCNB2CDK1
SCHEMBL10525603 0.81 TNKS (0.36) TNKSTNKS2SYKCCNB2CDK1
SCHEMBL10527272 0.81 TNKS (0.36) TNKSTNKS2SYK
SCHEMBL10525494 0.81 TNKS (0.36) TNKSTNKS2SYK
SCHEMBL10526790 0.81 KAT2B (0.35) TNKSTNKS2SYKMAPTKMT2A
SCHEMBL10527570 0.79 ALDH1A1 (0.35) TNKSTNKS2ALDH1A1LMNAMAPT
SCHEMBL10526914 0.77 UTS2R (0.35) TNKSTNKS2ELANESYKALDH1A1
SCHEMBL10524999 0.76 TLR8 (0.42) TNKSTNKS2ELANECDK2GSK3B
SCHEMBL10527413 0.73 CCNB2 (0.37) ELANEPDE9ACCNB2CDK1CCNB1

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
US-4801590-A ANGINA, ANTICANCER, CARDIOVASCULAR DISORDERS, HEADACHES, PSORIASIS, ASTHMA, ANTICOAGULANTS BEIERSDORF AG (DE) 1989-01-31 — — US disclosed
EP-0253171-A1 Pyrido[1,8]naphthyridinones, process for their preparation and their use and compositions containing them Beiersdorf-Lilly GmbH (DE) 1988-01-20 — — EP disclosed
Send feedback