SCHEMBL29635166

SCHEMBL29635166

CO[C@H]1CCN(c2cc(N)ncc2C#N)C1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
FGFR4 P22455 18/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL19866866 1.00 ACACB (0.41) ACACBFGFR4PIK3CAMTOR
SCHEMBL29596935 1.00 ACACB (0.41) ACACBFGFR4PIK3CAMTOR
SCHEMBL19630300 1.00 ACACB (0.41) ACACBFGFR4PIK3CAMTOR
SCHEMBL22023340 0.92 PIK3CA (0.42) ACACBPIK3CAMTOR
SCHEMBL29597799 0.92 PIK3CA (0.42) ACACBPIK3CAMTOR
SCHEMBL29597797 0.90 EGLN2 (0.38) ACACBFGFR4PIK3CAMTOR
SCHEMBL19866914 0.90 EGLN2 (0.38) ACACBFGFR4PIK3CAMTOR
SCHEMBL21056320 0.80 JAK2 (0.42) FGFR4
SCHEMBL21056321 0.80 JAK2 (0.42) FGFR4
SCHEMBL19866735 0.75 AR (0.46) PIK3CA

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-109563091-B FGFR4 inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2022-04-29 CN disclosed