SCHEMBL4227217

SCHEMBL4227217

Cc1ccc(-n2c(CCCNc3ncnc4c3ncn4C3CCCCO3)nc3ccsc3c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CYP1A2 P05177 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.39
▸ YTHDC1 Q96MU7 1/20 0.37
▸ PIK3CD O00329 3/20 0.36
▸ FLT3 P36888 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ BLM P54132 1/20 0.35

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
SCHEMBL4228491 0.93 NPC1 (0.53) SMN1; SMN2NPC1RAB9ACYP1A2HPGD
SCHEMBL4237005 0.92 NPC1 (0.46) SMN1; SMN2NPC1RAB9ACYP1A2HPGD
SCHEMBL4227286 0.90 NPC1 (0.46) SMN1; SMN2NPC1RAB9ACYP1A2HPGD
SCHEMBL4237270 0.89 PIK3CD (0.49) SMN1; SMN2NPC1RAB9ACYP1A2HPGD
SCHEMBL4233647 0.89 NPC1 (0.45) SMN1; SMN2NPC1RAB9ACYP1A2HPGD
SCHEMBL4229018 0.85 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ACYP1A2HPGD
SCHEMBL1703686 0.82 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ACYP1A2HPGD
SCHEMBL4238809 0.76 PIK3CD (0.42) SMN1; SMN2NPC1RAB9APIK3CDALDH1A1
SCHEMBL1703383 0.76 NPC1 (0.49) SMN1; SMN2NPC1RAB9ACYP1A2HPGD
SCHEMBL1704245 0.75 NPC1 (0.42) SMN1; SMN2NPC1RAB9ACYP1A2HPGD

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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