SCHEMBL5767308

SCHEMBL5767308

CN(C)CCCOc1ccc2c(c1)ncn2-c1ccc2cc(N3CCC(N)CC3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 10/20 0.53
SRC P12931 7/20 0.53
CDK2 P24941 2/20 0.50
NTRK1 P04629 2/20 0.50
GAK O14976 1/20 0.50
RIPK2 O43353 1/20 0.50
ULK1 O75385 1/20 0.50
STK10 O94804 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
LATS1 O95835 1/20 0.50
PAK4 O96013 1/20 0.50
LCK P06239 1/20 0.50
CDK1 P06493 1/20 0.50
APRT P07741 1/20 0.50
RET P07949 1/20 0.50
PDGFRB P09619 1/20 0.50
PHKG2 P15735 1/20 0.50
NQO2 P16083 1/20 0.50
PDGFRA P16234 1/20 0.50

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
SCHEMBL5766715 0.96 FGFR1 (0.52) FGFR1SRCCDK2NTRK1GAK
SCHEMBL5766838 0.91 FGFR1 (0.53) FGFR1SRCCDK2NTRK1GAK
SCHEMBL5766345 0.90 NTRK1 (0.50) FGFR1SRCCDK2NTRK1GAK
SCHEMBL5766894 0.90 NTRK1 (0.51) FGFR1SRCCDK2NTRK1GAK
SCHEMBL5763190 0.89 NTRK1 (0.50) FGFR1SRCCDK2NTRK1GAK
SCHEMBL5764648 0.88 NTRK1 (0.53) FGFR1SRCCDK2NTRK1GAK
SCHEMBL5765892 0.86 IRAK4 (0.51) FGFR1CDK2NTRK1GAKRIPK2
SCHEMBL5766417 0.86 NTRK1 (0.51) FGFR1SRCCDK2NTRK1GAK
SCHEMBL4681654 0.85 FGFR1 (0.57) FGFR1SRCCDK2NTRK1GAK
SCHEMBL5765669 0.85 GAK (0.47) FGFR1SRCCDK2NTRK1GAK

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