SCHEMBL29877520

SCHEMBL29877520

Fc1ccc(N2CCCn3nc(Nc4ccc(-n5cncn5)c(F)c4)nc32)cc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 16/20 0.44
▸ PSEN2 P49810 16/20 0.44
▸ APH1B Q8WW43 16/20 0.44
▸ NCSTN Q92542 16/20 0.44
▸ APH1A Q96BI3 16/20 0.44
▸ PSENEN Q9NZ42 16/20 0.44
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ BLM P54132 1/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ BCR P11274 2/20 0.34
▸ BTK Q06187 2/20 0.34

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
SCHEMBL20047805 1.00 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877666 0.85 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047767 0.85 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20048095 0.85 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877201 0.85 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047988 0.82 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29878584 0.82 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29878285 0.80 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047816 0.80 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047994 0.77 PSEN1 (0.50) 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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