SCHEMBL29092307

SCHEMBL29092307

Cc1cn(COCC[Si](C)(C)C)c2ncc(-c3ccnc(N)c3N)cc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 8/20 0.38
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ ALOX5AP P20292 5/20 0.32
▸ FEN1 P39748 5/20 0.32
▸ EGFR P00533 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ FLT4 P35916 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ EPHB4 P54760 1/20 0.32
▸ TEK Q02763 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ NOS3 P29474 1/20 0.30
▸ NOS2 P35228 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
SCHEMBL30615506 0.79 DGAT1 (0.38) DGAT1BRD4CREBBPALOX5APFEN1
SCHEMBL21463417 0.79 DGAT1 (0.38) DGAT1BRD4CREBBPALOX5APFEN1
SCHEMBL68020 0.75 DGAT1 (0.43) DGAT1BRD4CREBBP
SCHEMBL31050029 0.72 DGAT1 (0.40) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL29581588 0.72 PIK3CA (0.34) DGAT1
SCHEMBL30615511 0.70 MAPT (0.40) DGAT1BRD4CREBBPMAPT
SCHEMBL21463586 0.70 MAPT (0.40) DGAT1BRD4CREBBPMAPT
SCHEMBL16247668 0.70 DGAT1 (0.38) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL2888150 0.70 DGAT1 (0.41) DGAT1SRCTEK
SCHEMBL68598 0.69 DGAT1 (0.34) DGAT1BRD4CREBBP

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
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 — — CN disclosed
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