SCHEMBL4239144

SCHEMBL4239144

Cc1ccccc1-n1c(CCCNc2nc3cncnc3n2C2CCCCO2)nc2ccsc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.42
▸ PDE7A Q13946 12/20 0.36
▸ PDE4B Q07343 8/20 0.36
▸ PDE4A P27815 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ CYP1A2 P05177 4/20 0.33
▸ TSHR P16473 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL4237270 0.81 PIK3CD (0.49) PIK3CDALDH1A1CYP1A2TSHRCYP2C9
SCHEMBL4227217 0.72 SMN1; SMN2 (0.46) PIK3CDALDH1A1CYP1A2TSHRCYP2C9
SCHEMBL4228491 0.71 NPC1 (0.53) PIK3CDALDH1A1CYP1A2TSHRCYP2C9
SCHEMBL4237005 0.70 NPC1 (0.46) PIK3CDALDH1A1CYP1A2TSHRCYP2C9
SCHEMBL4242198 0.70 PIK3CD (0.56) PIK3CDPDE7APDE4BPDE4APDE4C
SCHEMBL4229018 0.69 SMN1; SMN2 (0.42) PIK3CDPDE4BPDE4APDE4CPDE4D
SCHEMBL4242355 0.68 PIK3CD (0.57) PIK3CDPDE7APDE4BPDE4APDE4C
SCHEMBL4227286 0.67 NPC1 (0.46) PIK3CDALDH1A1CYP1A2TSHRCYP2C9
SCHEMBL1703780 0.67 NPC1 (0.45) PIK3CDPDE7APDE4BALDH1A1CYP1A2
SCHEMBL7512190 0.64 PIK3CD (0.54) PIK3CDPDE7APDE4BPDE4APDE4C

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
EP-2097422-A1 THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS Eli Lilly & Co. (US) 2009-09-09 — — EP disclosed
WO-2008064018-A1 THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ELI LILLY & CO. (US) 2008-05-29 — — WO disclosed
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