SCHEMBL2445467

SCHEMBL2445467

C[C@@H](N)COCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.80
ERBB2 P04626 20/20 0.80

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
SCHEMBL2450475 1.00 EGFR (0.80) EGFRERBB2
SCHEMBL2448663 0.89 EGFR (0.77) EGFRERBB2
SCHEMBL2443472 0.89 EGFR (1.00) EGFRERBB2
SCHEMBL2446787 0.89 EGFR (1.00) EGFRERBB2
SCHEMBL2445249 0.88 EGFR (0.80) EGFRERBB2
SCHEMBL2446264 0.88 EGFR (1.00) EGFRERBB2
SCHEMBL2443974 0.87 EGFR (0.93) EGFRERBB2
SCHEMBL2447421 0.87 EGFR (0.86) EGFRERBB2
SCHEMBL6481610 0.87 EGFR (0.80) EGFRERBB2
SCHEMBL2441271 0.87 EGFR (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446401-B1 C5-modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB CO (US) 2011-09-14 EP disclosed
US-6908916-B2 C-5 modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB COMPANY (US) 2005-06-21 US disclosed