SCHEMBL24309561

SCHEMBL24309561

CCN(CC)C(=O)Cc1ccc(Oc2cc(-c3c(C)cccc3C)nc(NSc3cnn(C)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ MAP4K1 Q92918 2/20 0.30
▸ PDGFRB P09619 3/20 0.30
▸ FLT3 P36888 3/20 0.30
▸ CSF1R P07333 2/20 0.30
▸ MET P08581 2/20 0.30
▸ PDGFRA P16234 2/20 0.30
▸ KDR P35968 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ FLT4 P35916 1/20 0.30
▸ MAPK8 P45983 1/20 0.30

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
SCHEMBL24310133 0.85 POLB (0.35) KMT2ASYK
SCHEMBL24310798 0.85 BRD4 (0.33) KMT2APDE4BMETKDRALDH1A1
SCHEMBL29566747 0.85 BRD4 (0.33) KMT2APDE4BMETKDRALDH1A1
SCHEMBL24310557 0.85 DGAT2 (0.32) —
SCHEMBL24310126 0.84 AURKA (0.36) F2MAP4K1ALDH1A1LMNAGLA
SCHEMBL24310060 0.83 HTR7 (0.33) —
SCHEMBL24310347 0.82 GPR39 (0.39) KMT2AALDH1A1LMNA
SCHEMBL24310563 0.82 HPGD (0.31) F2
SCHEMBL24310105 0.81 BRD4 (0.34) SYKMAP4K1KDRALDH1A1LMNA
SCHEMBL24310142 0.80 GPR39 (0.30) —

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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