SCHEMBL24310028

SCHEMBL24310028

CCc1c(Oc2cccc(N3CCN(C)CC3)c2F)nc(NSc2cnn(C)c2)nc1-c1ccccc1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 2/20 0.32
▸ BRD9 Q9H8M2 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ TNK2 Q07912 1/20 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
SCHEMBL24309479 0.91 HTR1A (0.33) BRPF1BRD9BRD4
SCHEMBL24310359 0.90 BRD9 (0.34) BRPF1BRD9BRD4
SCHEMBL24310478 0.87 BRD4 (0.32) BRPF1BRD9BRD4
SCHEMBL29566934 0.85 HTR7 (0.39) BRPF1BRD9BRD4TNK2
SCHEMBL24310020 0.85 HTR7 (0.39) BRPF1BRD9BRD4TNK2
SCHEMBL24309536 0.83 BRPF1 (0.34) BRPF1BRD9BRD4TNK2
SCHEMBL24310049 0.83 PAK1 (0.36) BRPF1BRD9BRD4TNK2
SCHEMBL24310089 0.82 DRD2 (0.35) BRPF1BRD9BRD4
SCHEMBL24310513 0.82 MEN1 (0.33) BRPF1BRD9BRD4
SCHEMBL24310360 0.81 KDM4E (0.33) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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