SCHEMBL29989409

SCHEMBL29989409

C=CC(=O)N1CCC[C@@H](c2nc(-c3ccc(OCc4ccccn4)c(Cl)c3)c3c(N)nccn23)C1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.63
EGFR P00533 1/20 0.63
ERBB2 P04626 1/20 0.63
BLK P51451 1/20 0.63
BMX P51813 1/20 0.63
MAP2K1 Q02750 1/20 0.63
ERBB4 Q15303 1/20 0.63
IGF1R P08069 4/20 0.56
TNK2 Q07912 7/20 0.55
FGFR2 P21802 1/20 0.49
FGFR4 P22455 1/20 0.49

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
SCHEMBL29989154 0.89 BTK (0.65) BTKEGFRERBB2BLKBMX
SCHEMBL29989349 0.80 BTK (0.62) BTKEGFRERBB2BLKBMX
SCHEMBL21044814 0.79 TNK2 (0.70) BTKTNK2
SCHEMBL12903810 0.79 TNK2 (0.70) BTKTNK2
SCHEMBL30101135 0.78 FGFR4 (0.58) BTKEGFRIGF1RTNK2FGFR2
SCHEMBL29435011 0.78 EGFR (1.00) BTKEGFRERBB2BLKBMX
SCHEMBL19585961 0.78 EGFR (1.00) BTKEGFRERBB2BLKBMX
SCHEMBL19095672 0.78 EGFR (1.00) BTKEGFRERBB2BLKBMX
SCHEMBL19097868 0.78 EGFR (1.00) BTKEGFRERBB2BLKBMX
SCHEMBL29989777 0.77 TNK2 (0.52) BTKEGFRERBB2BLKBMX

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-113493439-B Substituted acrylamide derivative, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2022-10-14 CN disclosed