SCHEMBL29907180

SCHEMBL29907180

CNC1CN(c2ccc(-c3nn(Cc4ccc(OC)cc4)c4cc(OC)c(-c5cccc(C)c5C)nc34)cn2)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 8/20 0.37
RET P07949 8/20 0.36
CACNA1H O95180 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 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
SCHEMBL23210866 1.00 BUB1 (0.37) BUB1RETCACNA1HGRIN1GRIN2B
SCHEMBL23211102 0.89 BUB1 (0.35) BUB1RETCACNA1HGRIN2B
SCHEMBL29008859 0.89 BUB1 (0.37) BUB1RETCACNA1HGRIN1GRIN2B
SCHEMBL29907154 0.89 RET (0.36) BUB1RETCACNA1H
SCHEMBL23210675 0.89 RET (0.36) BUB1RETCACNA1H
SCHEMBL23211100 0.88 RET (0.35) BUB1RETCACNA1HGRIN1GRIN2B
SCHEMBL29907070 0.85 BUB1 (0.42) BUB1GRIN1GRIN2B
SCHEMBL23210943 0.85 BUB1 (0.42) BUB1GRIN1GRIN2B
SCHEMBL23263997 0.85 AAK1 (0.37) BUB1RETCACNA1HGRIN1GRIN2B
SCHEMBL29907095 0.85 AAK1 (0.37) BUB1RETCACNA1HGRIN1GRIN2B

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-115835908-A Bicyclic heterocycles as FGFR inhibitors 因赛特公司 2023-03-21 CN disclosed
EP-4045151-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS Incyte Corporation (US) 2022-08-24 EP disclosed