SCHEMBL7701895

SCHEMBL7701895

COc1ccc(Cn2cc(C(N)=O)c3c(N)ncnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.45
PDE8B O95263 1/20 0.44
SRC P12931 4/20 0.44
ABL1 P00519 3/20 0.44
ABL2 P42684 3/20 0.44
KDR P35968 1/20 0.44
CHRM1 P11229 2/20 0.43
ADK P55263 1/20 0.43
RIPK2 O43353 3/20 0.43
CFD P00746 1/20 0.43
RET P07949 3/20 0.42

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
SCHEMBL7705467 0.89 EGFR (0.45) EGFRSRCABL1ABL2KDR
SCHEMBL8991089 0.89 EGFR (0.45) EGFRSRCABL1ABL2KDR
SCHEMBL7695931 0.87 ADK (0.46) EGFRSRCABL1KDRADK
SCHEMBL7700275 0.85 CFD (0.47) ADKRIPK2CFDRET
SCHEMBL7701218 0.84 RET (0.52) EGFRSRCABL1ABL2KDR
SCHEMBL7700399 0.84 FLT3 (0.45) ADKCFDRET
SCHEMBL7705468 0.84 EGFR (0.43) EGFRPDE8BSRCABL1ABL2
SCHEMBL8991091 0.84 EGFR (0.43) EGFRPDE8BSRCABL1ABL2
SCHEMBL7704315 0.81 SLC29A1 (0.44) ADKCFD
SCHEMBL7695714 0.79 ADRA1D (0.51) EGFRSRCABL1ABL2KDR

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-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 US disclosed