SCHEMBL30877441

SCHEMBL30877441

Cn1cc(-c2cc(C#N)cn2COCC[Si](C)(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 3/20 0.38
BAZ2A Q9UIF9 3/20 0.38
SCN2A Q99250 1/20 0.38
CECR2 Q9BXF3 1/20 0.38
DGAT1 O75907 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1G2 P78368 1/20 0.35
CCNK O75909 4/20 0.33
CDK12 Q9NYV4 4/20 0.33
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
FLT3 P36888 2/20 0.33
ALK Q9UM73 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
SCN9A Q15858 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CCNC P24863 1/20 0.32

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
SCHEMBL29285150 0.83 DGAT1 (0.38) DGAT1FLT3
SCHEMBL30690645 0.78 IRAK4 (0.35) BAZ2BBAZ2ASCN2ACECR2DGAT1
SCHEMBL30877396 0.77 PGR (0.35) BAZ2BBAZ2ASCN2ACECR2DGAT1
SCHEMBL14859280 0.77 DGAT1 (0.39) DGAT1CYP11B1CYP11B2CCNCCDK8
SCHEMBL29285168 0.76 DGAT1 (0.42) DGAT1LRRK2
SCHEMBL5654607 0.71 KLKB1 (0.45) DGAT1
SCHEMBL27282901 0.69 BAZ2B (0.38) BAZ2BBAZ2ADGAT1LRRK2RET
SCHEMBL2129540 0.69 DGAT1 (0.37) DGAT1CYP11B1CYP11B2FLT3CCNC
SCHEMBL18000647 0.69 DGAT1 (0.35) DGAT1CYP11B2
SCHEMBL8472530 0.68 DGAT1 (0.39) DGAT1CYP11B1CYP11B2FLT3LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964643-B Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-07-02 CN disclosed
CN-117964643-A Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-05-03 CN disclosed