SCHEMBL3554356

SCHEMBL3554356

NC(=O)O[C@H]1CN(Cc2ccn3ncnc(Nc4cccc(Cl)c4)c23)CC[C@H]1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.71
▸ ERBB2 P04626 10/20 0.71
▸ AAK1 Q2M2I8 10/20 0.62
▸ LCK P06239 2/20 0.62
▸ CIT O14578 1/20 0.62
▸ CHEK1 O14757 1/20 0.62
▸ GAK O14976 1/20 0.62
▸ STK10 O94804 1/20 0.62
▸ PRKD3 O94806 1/20 0.62
▸ ABL1 P00519 1/20 0.62
▸ FYN P06241 1/20 0.62
▸ YES1 P07947 1/20 0.62
▸ LYN P07948 1/20 0.62
▸ RET P07949 1/20 0.62
▸ HCK P08631 1/20 0.62
▸ SRC P12931 1/20 0.62
▸ PHKG2 P15735 1/20 0.62
▸ PRKCA P17252 1/20 0.62
▸ PRKACA P17612 1/20 0.62
▸ CSNK2A2 P19784 1/20 0.62

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
SCHEMBL1219924 0.91 EGFR (0.71) EGFRERBB2AAK1LCKCIT
SCHEMBL1219921 0.91 EGFR (0.71) EGFRERBB2AAK1LCKCIT
SCHEMBL1220075 0.91 EGFR (0.71) EGFRERBB2AAK1LCKCIT
SCHEMBL1219879 0.89 EGFR (0.79) EGFRERBB2AAK1LCKCIT
SCHEMBL1218989 0.89 EGFR (0.79) EGFRERBB2AAK1LCKCIT
SCHEMBL12883909 0.89 EGFR (0.79) EGFRERBB2AAK1LCKCIT
SCHEMBL1219878 0.89 EGFR (0.79) EGFRERBB2AAK1LCKCIT
SCHEMBL1220394 0.89 EGFR (0.71) EGFRERBB2AAK1LCKCIT
SCHEMBL1220396 0.89 EGFR (0.71) EGFRERBB2AAK1LCKCIT
SCHEMBL1220440 0.89 EGFR (0.71) EGFRERBB2AAK1LCKCIT

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
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 — — US disclosed
EP-2058314-A1 Pyrrolotriazine compounds as kinase inhibitors Bristol-Myers Squibb Company (US) 2009-05-13 — — EP disclosed
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