SCHEMBL27740910

SCHEMBL27740910

CCNc1cc(-c2cncnc2-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)ncn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.56
BTK Q06187 2/20 0.56
BRAF P15056 11/20 0.56
RAF1 P04049 5/20 0.56
MAPK14 Q16539 5/20 0.54
KIT P10721 3/20 0.54
ABL1 P00519 2/20 0.54
SRC P12931 1/20 0.54
KDR P35968 5/20 0.51
TEK Q02763 2/20 0.51
JAK3 P52333 2/20 0.49
CSF1R P07333 3/20 0.49
DDR2 Q16832 1/20 0.49
MAPK13 O15264 1/20 0.48
LYN P07948 1/20 0.48
PDGFRA P16234 1/20 0.48
MAPK12 P53778 1/20 0.48
EPHB4 P54760 1/20 0.48
EPHA4 P54764 1/20 0.48
MAPK11 Q15759 1/20 0.48

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
SCHEMBL27740909 0.89 BRAF (0.56) LCKBTKBRAFRAF1MAPK14
SCHEMBL27740922 0.88 BRAF (0.58) LCKBTKBRAFRAF1MAPK14
SCHEMBL27740911 0.87 BTK (0.57) LCKBTKBRAFRAF1MAPK14
SCHEMBL3824874 0.87 KDR (0.65) LCKBTKBRAFMAPK14KIT
SCHEMBL3829573 0.77 KDR (0.68) LCKBRAFMAPK14KITABL1
SCHEMBL3824997 0.77 KDR (0.67) LCKBRAFMAPK14KITABL1
SCHEMBL13198172 0.77 BRAF (0.74) LCKBTKBRAFRAF1MAPK14
SCHEMBL3824167 0.76 KDR (0.65) LCKBRAFMAPK14KITABL1
SCHEMBL3827627 0.75 KDR (0.59) LCKBRAFMAPK14SRCKDR
SCHEMBL3827237 0.75 KDR (0.66) LCKBRAFMAPK14SRCKDR

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
CN-101421262-A Compounds and compositions as protein kinase inhibitors IRM LLC (VG) 2009-04-29 CN claimed