SCHEMBL27740909

SCHEMBL27740909

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ncncc1-c1cc(NC(C)C)ncn1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.56
RAF1 P04049 5/20 0.56
LCK P06239 6/20 0.54
MAPK14 Q16539 6/20 0.54
KIT P10721 4/20 0.54
SRC P12931 3/20 0.54
ABL1 P00519 2/20 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
BTK Q06187 1/20 0.49

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
SCHEMBL27740910 0.89 LCK (0.56) BRAFRAF1LCKMAPK14KIT
SCHEMBL27740922 0.88 BRAF (0.58) BRAFRAF1LCKMAPK14KIT
SCHEMBL27740911 0.87 BTK (0.57) BRAFRAF1LCKMAPK14KIT
SCHEMBL3824167 0.87 KDR (0.65) BRAFLCKMAPK14KITSRC
SCHEMBL3829573 0.77 KDR (0.68) BRAFLCKMAPK14KITSRC
SCHEMBL3824997 0.77 KDR (0.67) BRAFLCKMAPK14KITSRC
SCHEMBL13198172 0.77 BRAF (0.74) BRAFRAF1LCKMAPK14KIT
SCHEMBL3824874 0.76 KDR (0.65) BRAFLCKMAPK14KITSRC
SCHEMBL374545 0.75 LCK (0.68) BRAFRAF1LCKMAPK14KIT
SCHEMBL3823481 0.74 KDR (0.64) BRAFLCKMAPK14KITSRC

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