SCHEMBL29877489

SCHEMBL29877489

COc1cc(Nc2nc3n(n2)CCCN3c2cccc(F)c2)ccc1-n1cnc(C)n1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 20/20 0.60
▸ PSEN2 P49810 20/20 0.60
▸ APH1B Q8WW43 20/20 0.60
▸ NCSTN Q92542 20/20 0.60
▸ APH1A Q96BI3 20/20 0.60
▸ PSENEN Q9NZ42 20/20 0.60
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C8 P10632 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ UGT1A1 P22309 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ SLCO1B1 Q9Y6L6 1/20 0.47

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
SCHEMBL20048098 1.00 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20048131 0.93 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877856 0.93 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047818 0.91 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29878265 0.91 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20048133 0.91 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877117 0.89 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047763 0.89 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20048094 0.88 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20048103 0.85 PSEN1 (0.59) 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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