SCHEMBL3556977

SCHEMBL3556977

C#Cc1cccc(Nc2ncnn3ccc(CN4CC[C@H](N)[C@@H](O)C4)c23)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.79
ERBB2 P04626 10/20 0.79
AAK1 Q2M2I8 10/20 0.74
LCK P06239 2/20 0.74
CIT O14578 1/20 0.74
CHEK1 O14757 1/20 0.74
GAK O14976 1/20 0.74
STK10 O94804 1/20 0.74
PRKD3 O94806 1/20 0.74
ABL1 P00519 1/20 0.74
FYN P06241 1/20 0.74
YES1 P07947 1/20 0.74
LYN P07948 1/20 0.74
RET P07949 1/20 0.74
HCK P08631 1/20 0.74
SRC P12931 1/20 0.74
PHKG2 P15735 1/20 0.74
PRKCA P17252 1/20 0.74
PRKACA P17612 1/20 0.74
CSNK2A2 P19784 1/20 0.74

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
SCHEMBL1219004 1.00 EGFR (0.79) EGFRERBB2AAK1LCKCIT
SCHEMBL1219929 1.00 EGFR (0.79) EGFRERBB2AAK1LCKCIT
SCHEMBL1219931 1.00 EGFR (0.79) EGFRERBB2AAK1LCKCIT
SCHEMBL1219025 0.92 EGFR (0.74) EGFRERBB2AAK1LCKCIT
SCHEMBL3552869 0.92 EGFR (0.74) EGFRERBB2AAK1LCKCIT
SCHEMBL4421457 0.92 EGFR (0.74) EGFRERBB2AAK1LCKCIT
SCHEMBL4552770 0.90 EGFR (0.73) EGFRERBB2AAK1LCKCIT
SCHEMBL3560329 0.90 EGFR (0.75) EGFRERBB2AAK1LCKCIT
SCHEMBL3560323 0.90 EGFR (0.75) EGFRERBB2AAK1LCKCIT
SCHEMBL1219949 0.90 EGFR (0.75) 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 1 patent. 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