SCHEMBL29877201

SCHEMBL29877201

Cc1ncn(-c2ccc(Nc3nc4n(n3)CCCN4c3ccc(F)c(F)c3)cc2F)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 19/20 0.49
▸ PSEN2 P49810 19/20 0.49
▸ APH1B Q8WW43 19/20 0.49
▸ NCSTN Q92542 19/20 0.49
▸ APH1A Q96BI3 19/20 0.49
▸ PSENEN Q9NZ42 19/20 0.49
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ BTK Q06187 1/20 0.39

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
SCHEMBL20047767 1.00 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047994 0.91 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047763 0.91 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877117 0.91 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20048111 0.90 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21195185 0.89 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877666 0.89 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20048095 0.89 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20048094 0.89 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20048077 0.89 PSEN1 (0.49) 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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