SCHEMBL29878579

SCHEMBL29878579

COc1cc(Nc2nc3n(n2)CCCN3c2ccc(F)c(F)c2F)ccc1-n1cnc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 19/20 0.56
▸ PSEN2 P49810 19/20 0.56
▸ APH1B Q8WW43 19/20 0.56
▸ NCSTN Q92542 19/20 0.56
▸ APH1A Q96BI3 19/20 0.56
▸ PSENEN Q9NZ42 19/20 0.56
▸ UGT1A1 P22309 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ SLCO1B1 Q9Y6L6 1/20 0.44

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
SCHEMBL20047989 1.00 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20048112 0.95 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877480 0.95 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877497 0.90 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047804 0.90 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20048091 0.88 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20048127 0.88 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877495 0.88 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877081 0.88 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047848 0.88 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A

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
CN-109476670-B Bicyclic heteroaryl derivatives 豪夫迈·罗氏有限公司 2022-06-28 — — CN claimed
CN-109476670-B Bicyclic heteroaryl derivatives 豪夫迈·罗氏有限公司 2022-06-28 — — CN disclosed
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