SCHEMBL20240823

SCHEMBL20240823

COc1c(C(C)C2[CH]C2)cc(Cl)c(C)c1-c1cccnc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 11/20 0.37
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CYP11B2 P19099 5/20 0.34
▸ CYP17A1 P05093 4/20 0.34
▸ CYP11B1 P15538 4/20 0.34
▸ CYP19A1 P11511 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ JAK2 O60674 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
SCHEMBL29688628 0.86 POLB (0.39) PIK3CDPOLBMAPK1HTTCYP11B2
SCHEMBL20240836 0.86 POLB (0.39) PIK3CDPOLBMAPK1HTTCYP11B2
SCHEMBL30590299 0.83 CYP11B1 (0.39) PIK3CDPOLBMAPK1HTTCYP11B2
SCHEMBL20240859 0.83 CYP11B1 (0.39) PIK3CDPOLBMAPK1HTTCYP11B2
SCHEMBL29688422 0.83 CYP11B1 (0.39) PIK3CDPOLBMAPK1HTTCYP11B2
SCHEMBL29688933 0.80 KDM4E (0.41) PIK3CDPOLBMAPK1HTTCYP11B2
SCHEMBL20254635 0.80 KDM4E (0.41) PIK3CDPOLBMAPK1HTTCYP11B2
SCHEMBL29688594 0.79 AKR1C3 (0.44) PIK3CDCYP11B2CYP11B1
SCHEMBL20243515 0.79 AKR1C3 (0.44) PIK3CDCYP11B2CYP11B1
SCHEMBL28747455 0.77 PIK3CD (0.38) PIK3CDPOLBMAPK1HTT

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-3551630-A1 IMIDAZO [1,5-A]PYRAZINE DERIVATIVES AS PI3Kdelta INHIBITORS Beigene, Ltd. (KY) 2019-10-16 — — EP disclosed
WO-2018103688-A1 IMIDAZO [1,5-A] PYRAZINE DERIVATIVES AS PI3Kdelta INHIBITORS BEIGENE, LTD. (KY) 2018-06-14 — — WO disclosed
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