SCHEMBL31269447

SCHEMBL31269447

Cc1ccnc(Cn2c(-c3ccc(OCC(=O)N4CC[C@@](C)(O)C4)cc3Cl)nc3c(OC4(C)CC4)ncnc32)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 6/20 0.38
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GHSR Q92847 5/20 0.34
▸ TP53 P04637 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ RAF1 P04049 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.31
▸ LRRK2 Q5S007 2/20 0.31

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
SCHEMBL31269352 0.96 PIK3CD (0.37) PIK3CDNPC1RAB9AGHSRTP53
SCHEMBL31269232 0.92 RAB9A (0.41) PIK3CDNPC1RAB9ATP53CNR1
SCHEMBL31269092 0.92 RAB9A (0.40) PIK3CDNPC1RAB9AGHSRTP53
SCHEMBL31268831 0.90 PIK3CD (0.38) PIK3CDNPC1RAB9ATP53KDM4E
SCHEMBL31269355 0.90 PIK3CD (0.38) PIK3CDNPC1RAB9ATP53CNR1
SCHEMBL31268921 0.90 FKBP1A (0.40) PIK3CDNPC1RAB9ATP53KDM4E
SCHEMBL31269257 0.90 PIK3CD (0.36) PIK3CDNPC1RAB9ATP53
SCHEMBL31269139 0.90 PIK3CD (0.39) PIK3CDGHSR
SCHEMBL31269207 0.89 PIK3CD (0.38) PIK3CDNPC1RAB9ATP53
SCHEMBL31268883 0.89 PIK3CD (0.38) PIK3CDNPC1RAB9ATP53RAF1

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-4689155-A1 USE OF INHIBITORS TO INCREASE EFFICIENCY OF CRISPR/CAS INSERTIONS Astrazeneca AB (SE) 2026-02-11 — — EP disclosed
WO-2024201368-A1 USE OF INHIBITORS TO INCREASE EFFICIENCY OF CRISPR/CAS INSERTIONS ASTRAZENECA AB (SE) 2024-10-03 — — WO disclosed
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