SCHEMBL31275671

SCHEMBL31275671

CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(N)nc21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 9/20 0.33
▸ NOS2 P35228 2/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ HCK P08631 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ EPHB4 P54760 1/20 0.31
▸ PRKDC P78527 1/20 0.31
▸ BACE1 P56817 2/20 0.31
▸ NCK1 P16333 1/20 0.31
▸ NCF1 P14598 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
SCHEMBL4218735 0.82 — —
SCHEMBL29565102 0.74 CDK1 (0.35) MCHR1NOS2NOS3NOS1PIK3CD
SCHEMBL1883096 0.71 PARP1 (0.44) —
SCHEMBL26633046 0.71 MCHR1 (0.34) MCHR1NOS2NOS3NOS1BACE1
SCHEMBL15091312 0.71 PIK3CB (0.44) MCHR1NOS2NOS3NOS1PIK3CB
SCHEMBL917628 0.70 PRKCI (0.41) KDRPIK3CB
SCHEMBL13835324 0.69 SMPD3 (0.43) MTORPRKDC
SCHEMBL13835157 0.67 PIM1 (0.42) KDR
SCHEMBL12127689 0.67 APP (0.38) —
SCHEMBL12128265 0.67 ALK (0.35) —

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-2024229221-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE CAPULUS THERAPEUTICS, LLC (US) 2024-11-07 — — WO disclosed
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