SCHEMBL20744809

SCHEMBL20744809

Nc1ncnc2c1c(Cc1cccc(Cl)c1)nn2C1CC(OCc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.55
CSNK1A1 P48729 1/20 0.53
CSNK1D P48730 1/20 0.53
CSNK1E P49674 1/20 0.53
EGFR P00533 2/20 0.46
IGF1R P08069 5/20 0.43
ABL1 P00519 4/20 0.42
AKT1 P31749 1/20 0.41
LCK P06239 1/20 0.41
TEK Q02763 1/20 0.41
RET P07949 1/20 0.41
PIK3CD O00329 1/20 0.41
BTK Q06187 1/20 0.41
KDR P35968 1/20 0.39
ABL2 P42684 1/20 0.39
ATG7 O95352 1/20 0.39
INSR P06213 1/20 0.38

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
SCHEMBL20754470 1.00 SRC (0.55) SRCCSNK1A1CSNK1DCSNK1EEGFR
SCHEMBL20744808 1.00 SRC (0.55) SRCCSNK1A1CSNK1DCSNK1EEGFR
SCHEMBL20744770 0.85 SRC (0.60) SRCCSNK1A1CSNK1DCSNK1EEGFR
SCHEMBL20744772 0.85 SRC (0.60) SRCCSNK1A1CSNK1DCSNK1EEGFR
SCHEMBL20744781 0.85 SRC (0.60) SRCCSNK1A1CSNK1DCSNK1EEGFR
SCHEMBL20744798 0.85 SRC (0.60) SRCCSNK1A1CSNK1DCSNK1EEGFR
SCHEMBL20744784 0.85 SRC (0.60) SRCCSNK1A1CSNK1DCSNK1EEGFR
SCHEMBL20500111 0.84 SRC (0.65) SRCCSNK1A1CSNK1DCSNK1EEGFR
SCHEMBL20500101 0.83 SRC (0.62) SRCCSNK1A1CSNK1DCSNK1EEGFR
SCHEMBL863906 0.83 SRC (0.64) SRCCSNK1A1CSNK1DCSNK1EEGFR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3853230-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2021-07-28 EP disclosed
EP-3668875-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2020-06-24 EP disclosed
WO-2020061279-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2020-03-26 WO disclosed
WO-2019036001-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2019-02-21 WO disclosed
WO-2019036001-A1 CDPK1 INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2019-02-21 WO disclosed