SCHEMBL3555837

SCHEMBL3555837

COc1cc(F)cc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@@H](O)C4)c23)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.80
AAK1 Q2M2I8 5/20 0.80
LCK P06239 3/20 0.80
PRKD3 O94806 2/20 0.80
PRKCA P17252 2/20 0.80
PRKCI P41743 2/20 0.80
PRKCD Q05655 2/20 0.80
CIT O14578 1/20 0.80
CHEK1 O14757 1/20 0.80
GAK O14976 1/20 0.80
STK10 O94804 1/20 0.80
ABL1 P00519 1/20 0.80
FYN P06241 1/20 0.80
YES1 P07947 1/20 0.80
LYN P07948 1/20 0.80
RET P07949 1/20 0.80
HCK P08631 1/20 0.80
SRC P12931 1/20 0.80
PHKG2 P15735 1/20 0.80
PRKACA P17612 1/20 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
SCHEMBL1220206 1.00 EGFR (0.80) EGFRAAK1LCKPRKD3PRKCA
SCHEMBL1220133 0.92 EGFR (0.71) EGFRAAK1LCKPRKD3PRKCA
SCHEMBL1220567 0.91 EGFR (0.80) EGFRAAK1LCKPRKD3PRKCA
Bms-690514 SCHEMBL1218662 0.89 EGFR (1.00) EGFRAAK1LCKPRKD3PRKCA
Bms-690514 SCHEMBL1219326 0.89 EGFR (1.00) EGFRAAK1LCKPRKD3PRKCA
Bms-690514 SCHEMBL1220743 0.89 EGFR (1.00) EGFRAAK1LCKPRKD3PRKCA
Bms-690514 SCHEMBL1218633 0.89 EGFR (1.00) EGFRAAK1LCKPRKD3PRKCA
Bms-690514 SCHEMBL1218901 0.89 EGFR (1.00) EGFRAAK1LCKPRKD3PRKCA
Bms-690514 SCHEMBL13709054 0.89 EGFR (1.00) EGFRAAK1LCKPRKD3PRKCA
Bms-690514 SCHEMBL29385871 0.89 EGFR (1.00) EGFRAAK1LCKPRKD3PRKCA

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