SCHEMBL5247699

SCHEMBL5247699

COc1ccc(Cc2nc3sc(C#N)c(C)c3c(=O)[nH]2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 5/20 0.48
CCNE1 P24864 5/20 0.48
CDK2 P24941 5/20 0.48
CDK4 P11802 4/20 0.48
CCND1 P24385 4/20 0.48
POLB P06746 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
RNASEH1 O60930 1/20 0.44
CCNB2 O95067 3/20 0.42
CDK1 P06493 3/20 0.42
CCNB1 P14635 3/20 0.42
CCNB3 Q8WWL7 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL5297549 0.88 SMN1; SMN2 (0.44) POLBKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL2833833 0.82 FGFR1 (0.52) CCNE2CCNE1CDK2POLBKDM4E
SCHEMBL3493912 0.81 MAPT (0.55) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL2836379 0.81 RXFP1 (0.59) POLBKDM4EALDH1A1HPGDLMNA
SCHEMBL4516958 0.78 KMT2A (0.60) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL2840153 0.77 KMT2A (0.41) POLBKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2838833 0.76 CA2 (0.39) POLBKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5251798 0.76 RXFP1 (0.50) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL2833857 0.75 KMT2A (0.41) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL2839441 0.74 CA2 (0.37) POLBKDM4EALDH1A1HPGDSMN1; SMN2

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
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
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