SCHEMBL13709100

SCHEMBL13709100

O[C@H]1CCCN(Cc2ccn3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.72
ERBB2 P04626 17/20 0.72
KDR P35968 2/20 0.72
LCK P06239 2/20 0.72
AAK1 Q2M2I8 2/20 0.51
CIT O14578 1/20 0.51
CHEK1 O14757 1/20 0.51
GAK O14976 1/20 0.51
STK10 O94804 1/20 0.51
PRKD3 O94806 1/20 0.51
ABL1 P00519 1/20 0.51
FYN P06241 1/20 0.51
YES1 P07947 1/20 0.51
LYN P07948 1/20 0.51
RET P07949 1/20 0.51
HCK P08631 1/20 0.51
SRC P12931 1/20 0.51
PHKG2 P15735 1/20 0.51
PRKCA P17252 1/20 0.51
PRKACA P17612 1/20 0.51

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
SCHEMBL1220265 0.90 EGFR (0.81) EGFRERBB2KDRLCK
SCHEMBL1219574 0.90 EGFR (0.81) EGFRERBB2KDRLCK
SCHEMBL1220093 0.89 EGFR (0.83) EGFRERBB2KDRLCKAAK1
SCHEMBL1219507 0.89 EGFR (0.76) EGFRERBB2KDRLCKAAK1
SCHEMBL1218652 0.86 EGFR (0.78) EGFRERBB2KDRLCKAAK1
SCHEMBL1220354 0.86 EGFR (0.78) EGFRERBB2KDRLCKAAK1
SCHEMBL1220282 0.86 EGFR (0.78) EGFRERBB2KDRLCKAAK1
SCHEMBL1220160 0.86 EGFR (0.78) EGFRERBB2KDRLCKAAK1
SCHEMBL1220592 0.86 EGFR (0.78) EGFRERBB2KDRLCKAAK1
SCHEMBL12883253 0.84 EGFR (0.83) EGFRERBB2KDRLCKAAK1

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-1699797-B1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-09-23 EP disclosed