SCHEMBL14040958

SCHEMBL14040958

COc1cccc(-c2cn(C3CCNC3)c3ncnc(N)c23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 1.00
EGFR P00533 16/20 1.00
ABL1 P00519 15/20 1.00
ABL2 P42684 15/20 1.00
LCK P06239 2/20 0.70
FGR P09769 1/20 0.65
EPHA1 P21709 1/20 0.65
TXK P42681 1/20 0.65
FRK P42685 1/20 0.65
PTK6 Q13882 1/20 0.65
IGF1R P08069 1/20 0.64

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
Hydrochloric Acid SCHEMBL8099098 0.99 SRC (0.98) SRCEGFRABL1ABL2LCK
SCHEMBL8098925 0.94 SRC (0.89) SRCEGFRABL1ABL2LCK
Hydrochloric Acid SCHEMBL8114119 0.87 SRC (0.98) SRCEGFRABL1ABL2LCK
SCHEMBL12856462 0.87 EGFR (1.00) SRCEGFRABL1ABL2LCK
SCHEMBL18521878 0.86 EGFR (0.98) SRCEGFRABL1ABL2LCK
Hydrochloric Acid SCHEMBL8108003 0.86 IGF1R (0.85) SRCEGFRABL1ABL2LCK
SCHEMBL7025438 0.85 ABL1 (0.85) SRCEGFRABL1ABL2LCK
SCHEMBL7021405 0.85 SRC (1.00) SRCEGFRABL1ABL2LCK
SCHEMBL8114105 0.85 SRC (1.00) SRCEGFRABL1ABL2LCK
SCHEMBL14617844 0.82 SRC (1.00) SRCEGFRABL1ABL2LCK

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-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 EP disclosed