SCHEMBL380694

SCHEMBL380694

CCN(CC=CC(=O)Nc1cc2c(N[C@H](C)c3ccccc3)ncnc2cc1OCC1CC1)CCOC.COCCN(C)CC=CC(=O)Nc1cc2c(N[C@H](C)c3ccccc3)ncnc2cc1OCC1CC1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.51
ERBB2 P04626 8/20 0.46

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
SCHEMBL29623604 0.97 EGFR (0.54) EGFRERBB2
SCHEMBL196745 0.97 EGFR (0.54) EGFRERBB2
SCHEMBL232347 0.97 EGFR (0.54) EGFRERBB2
SCHEMBL232346 0.97 EGFR (0.54) EGFRERBB2
SCHEMBL2782327 0.96 EGFR (0.54) EGFRERBB2
SCHEMBL2782329 0.96 EGFR (0.54) EGFRERBB2
SCHEMBL175533 0.95 EGFR (0.54) EGFRERBB2
SCHEMBL232621 0.95 EGFR (0.54) EGFRERBB2
SCHEMBL29623467 0.95 EGFR (0.54) EGFRERBB2
SCHEMBL232622 0.95 EGFR (0.54) EGFRERBB2

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
EP-2408500-A1 DISPENSING DEVICE, STORAGE DEVICE AND METHOD FOR DISPENSING A FORMULATION Boehringer Ingelheim International GmbH (DE) 2012-01-25 EP disclosed