SCHEMBL5764531

SCHEMBL5764531

COCCOc1ccc2c(c1)ncn2-c1ccc2cccc(-c3ccc(CN4CCN(OC(=O)OC(C)(C)C)CC4)cc3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.37
NTRK1 P04629 2/20 0.37
FLT3 P36888 2/20 0.37
GAK O14976 1/20 0.37
RIPK2 O43353 1/20 0.37
ULK1 O75385 1/20 0.37
STK10 O94804 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
LATS1 O95835 1/20 0.37
PAK4 O96013 1/20 0.37
LCK P06239 1/20 0.37
CDK1 P06493 1/20 0.37
APRT P07741 1/20 0.37
PDGFRB P09619 1/20 0.37
PHKG2 P15735 1/20 0.37
NQO2 P16083 1/20 0.37
PDGFRA P16234 1/20 0.37
FECH P22830 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL5765217 0.90 RET (0.40) RETNTRK1FLT3GAKRIPK2
SCHEMBL5767217 0.86 AKT1 (0.42) RETNTRK1FLT3GAKRIPK2
SCHEMBL5765132 0.86 MAP3K11 (0.41) RETNTRK1FLT3GAKRIPK2
SCHEMBL5763022 0.85 NTRK1 (0.42) RETNTRK1FLT3GAKRIPK2
SCHEMBL5764600 0.83 JAK2 (0.47) RETNTRK1FLT3GAKRIPK2
SCHEMBL5766224 0.82 IRAK4 (0.51) RETNTRK1FLT3GAKRIPK2
SCHEMBL5765949 0.82 IRAK4 (0.40) RETNTRK1FLT3GAKRIPK2
SCHEMBL5767092 0.82 IRAK4 (0.40) RETNTRK1FLT3GAKRIPK2
SCHEMBL5765674 0.82 IRAK4 (0.40) RETNTRK1FLT3GAKRIPK2
SCHEMBL5765588 0.82 IRAK4 (0.40) RETNTRK1FLT3GAKRIPK2

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-1235825-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2006-01-25 EP claimed