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Posaconazole

Posaconazole

SCHEMBL4726547

CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1.CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Posaconazole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 19/20 0.71
▸ CYP19A1 P11511 5/20 0.71
▸ ABCG2 Q9UNQ0 4/20 0.71
▸ CYP17A1 P05093 4/20 0.71
▸ ABCB11 O95342 3/20 0.71
▸ CYP8B1 Q9UNU6 3/20 0.71
▸ CYP11B1 P15538 3/20 0.71
▸ CYP2C9 P11712 2/20 0.71
▸ CYP11B2 P19099 2/20 0.71
▸ PTGS2 P35354 1/20 0.71
▸ MAPT P10636 3/20 0.61
▸ MAPK1 P28482 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ ABCB1 P08183 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ HIF1A Q16665 2/20 0.61
▸ CYP51A1 Q16850 2/20 0.61
▸ FYN P06241 1/20 0.61
▸ CXCR1 P25024 1/20 0.61

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
Posaconazole SCHEMBL4024855 0.91 CYP3A4 (0.78) CYP3A4CYP19A1ABCG2CYP17A1ABCB11
Posaconazole SCHEMBL20703831 0.86 CYP3A4 (0.70) CYP3A4CYP19A1ABCG2CYP17A1ABCB11
Itraconazole SCHEMBL28208896 0.86 CYP3A4 (0.83) CYP3A4CYP19A1ABCG2CYP17A1ABCB11
Itraconazole SCHEMBL6129429 0.86 CYP3A4 (0.83) CYP3A4CYP19A1ABCG2CYP17A1ABCB11
Itraconazole SCHEMBL3675418 0.85 CYP3A4 (0.70) CYP3A4CYP19A1ABCG2CYP17A1ABCB11
Posaconazole SCHEMBL23871970 0.84 CYP3A4 (1.00) CYP3A4CYP19A1ABCG2CYP17A1ABCB11
Posaconazole SCHEMBL1455343 0.84 CYP3A4 (1.00) CYP3A4CYP19A1ABCG2CYP17A1ABCB11
Posaconazole SCHEMBL18857056 0.84 CYP3A4 (1.00) CYP3A4CYP19A1ABCG2CYP17A1ABCB11
Posaconazole SCHEMBL20930912 0.84 CYP3A4 (1.00) CYP3A4CYP19A1ABCG2CYP17A1ABCB11
Posaconazole SCHEMBL13575780 0.84 CYP3A4 (1.00) CYP3A4CYP19A1ABCG2CYP17A1ABCB11

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
WO-2008021970-A2 TREATMENT OF MOTOR NEURON DISEASE, INCLUDING CERTAIN NEUROLOGICAL DISORDERS, MOTOR NEUROPATHIES AND CHRONIC INFLAMMATORY DISEASES REID WILLIAM K (US) 2008-02-21 — — WO claimed
WO-2008021970-A2 TREATMENT OF MOTOR NEURON DISEASE, INCLUDING CERTAIN NEUROLOGICAL DISORDERS, MOTOR NEUROPATHIES AND CHRONIC INFLAMMATORY DISEASES REID WILLIAM K (US) 2008-02-21 — — WO disclosed