SCHEMBL19657569

SCHEMBL19657569

CNC(=O)c1cn(C)c2c(Cl)cc(I)cc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.44
▸ NR4A2 P43354 2/20 0.42
▸ CREBBP Q92793 5/20 0.41
▸ MAP2K1 Q02750 2/20 0.40
▸ MAP2K2 P36507 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PTPN7 P35236 1/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ BAZ2B Q9UIF8 1/20 0.31
▸ BAZ2A Q9UIF9 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
SCHEMBL19657852 0.84 BRD4 (0.46) BRD4NR4A2CREBBPMAP2K1MAP2K2
SCHEMBL19657743 0.84 BRD4 (0.46) BRD4NR4A2CREBBPMAP2K1MAP2K2
SCHEMBL22822511 0.81 BRD4 (0.43) BRD4NR4A2CREBBPMAOB
SCHEMBL30993088 0.74 BRD4 (0.44) BRD4NR4A2CREBBPMAP2K1MAP2K2
SCHEMBL19657855 0.74 NR4A2 (0.64) BRD4NR4A2CREBBPMAP2K1MAP2K2
SCHEMBL30993572 0.73 BRD4 (0.47) BRD4NR4A2CREBBPMAP2K1MAP2K2
SCHEMBL19657311 0.72 BRD4 (0.48) BRD4NR4A2CREBBPMAP2K1MAP2K2
SCHEMBL20674106 0.70 BRD4 (0.39) BRD4NR4A2CREBBPMAP2K1MAP2K2
SCHEMBL22822275 0.69 BRD4 (0.44) BRD4NR4A2CREBBPMAP2K1MAP2K2
SCHEMBL21516789 0.68 KDM4E (0.44) MAP2K1MAP2K2SMN1; SMN2KDM4EL3MBTL1

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-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — WO disclosed
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