SCHEMBL20633186

SCHEMBL20633186

Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3C)s2)nc(C)n1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 17/20 0.86
ABL1 P00519 5/20 0.86
SRC P12931 5/20 0.86
MAPK14 Q16539 4/20 0.86
EGFR P00533 3/20 0.86
FYN P06241 3/20 0.86
YES1 P07947 3/20 0.86
LYN P07948 3/20 0.86
HCK P08631 3/20 0.86
KIT P10721 3/20 0.86
BCR P11274 3/20 0.86
MAPK13 O15264 2/20 0.86
ERBB2 P04626 2/20 0.86
FGR P09769 2/20 0.86
JAK3 P52333 2/20 0.86
MAPK12 P53778 2/20 0.86
MAPK11 Q15759 2/20 0.86
EPHB6 O15197 2/20 0.57
CSF1R P07333 2/20 0.57
RET P07949 2/20 0.57

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
SCHEMBL31060141 0.93 LCK (1.00) LCKABL1SRCMAPK14EGFR
SCHEMBL774220 0.93 LCK (1.00) LCKABL1SRCMAPK14EGFR
SCHEMBL774309 0.90 LCK (1.00) LCKABL1SRCMAPK14EGFR
SCHEMBL773009 0.89 LCK (0.70) LCKABL1SRCMAPK14EGFR
SCHEMBL20633284 0.89 LCK (0.76) LCKABL1SRCMAPK14EGFR
SCHEMBL775613 0.89 LCK (0.86) LCKABL1SRCMAPK14EGFR
SCHEMBL774847 0.88 LCK (0.71) LCKABL1SRCMAPK14EGFR
SCHEMBL20633265 0.88 LCK (0.68) LCKABL1SRCMAPK14EGFR
SCHEMBL774475 0.87 LCK (0.71) LCKABL1SRCMAPK14EGFR
SCHEMBL16785700 0.87 LCK (0.70) LCKABL1SRCMAPK14EGFR

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
WO-2019008555-A1 POLYMORPHIC FORMS OF DASATINIB BIOCON LIMITED (IN) 2019-01-10 WO disclosed