SCHEMBL5297549

SCHEMBL5297549

COc1cc(Cc2nc3sc(C#N)c(C)c3c(=O)[nH]2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
CDKN1A P38936 3/20 0.40
BRD4 O60885 3/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL5247699 0.88 CCNE2 (0.48) SMN1; SMN2LMNABRD4KMT2APOLB
SCHEMBL2853032 0.83 CDKN1A (0.58) GAACDKN1ABRD4POLBALDH1A1
SCHEMBL2836379 0.79 RXFP1 (0.59) LMNABRD4KMT2APOLBALDH1A1
SCHEMBL14493252 0.77 ALDH1A1 (0.43) SMN1; SMN2LMNAGAAMAPK1KMT2A
SCHEMBL2843168 0.76 SMN1; SMN2 (0.42) SMN1; SMN2LMNAGAAMAPK1POLB
SCHEMBL2838839 0.75 SMN1; SMN2 (0.38) SMN1; SMN2LMNAGAAMAPK1KMT2A
SCHEMBL2838723 0.74 SMN1; SMN2 (0.43) SMN1; SMN2LMNAGAAMAPK1ALDH1A1
SCHEMBL5251798 0.74 RXFP1 (0.50) LMNABRD4KMT2APOLBALDH1A1
SCHEMBL2833833 0.74 FGFR1 (0.52) SMN1; SMN2CDKN1ABRD4KMT2APOLB
SCHEMBL2837961 0.74 SMN1; SMN2 (0.37) SMN1; SMN2LMNAGAAMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662814-B2 4-(4-Ethylpiperazin-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile; asthma, atopic dermatitis, chronic obstructive pulmonary disease, Crohn's disease, type I and type II diabetes, lymphoid leukemia and other forms of cancer, multiple sclerosis and autoimmune diseases LABORATORIOS ALMIRALL, S.A. (ES) 2010-02-16 US disclosed
EP-1590352-B1 4-AMINOTHIENO [2,3-d] PYRIMIDINE-6-CARBONITRILE DERIVATIVES AS PDE7 INHIBITORS ALMIRALL LAB (ES) 2007-06-27 EP disclosed
WO-2004065391-A1 4-AMINOTHIENO[2,3-d]PYRIMIDINE-6-CARBONITRILE DERIVATIVES AS PDE7 INHIBITORS ALMIRALL PRODESFARMA S.A. (ES) 2004-08-05 WO disclosed