SCHEMBL27740911

SCHEMBL27740911

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ncncc1-c1cc(NC2CC2)ncn1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.57
RAF1 P04049 8/20 0.56
BRAF P15056 7/20 0.56
LCK P06239 5/20 0.53
SRC P12931 4/20 0.53
ABL1 P00519 3/20 0.53
MAPK14 Q16539 3/20 0.53
KIT P10721 1/20 0.53
KDR P35968 4/20 0.52
INSR P06213 2/20 0.52
LYN P07948 2/20 0.52
HCK P08631 1/20 0.52
TEK Q02763 2/20 0.50
TNK2 Q07912 1/20 0.48
MAP4K2 Q12851 1/20 0.48
JAK3 P52333 1/20 0.48
CSF1R P07333 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
SCHEMBL27740910 0.87 LCK (0.56) BTKRAF1BRAFLCKSRC
SCHEMBL27740909 0.87 BRAF (0.56) BTKRAF1BRAFLCKSRC
SCHEMBL3823481 0.87 KDR (0.64) BTKBRAFLCKSRCABL1
SCHEMBL27740922 0.86 BRAF (0.58) BTKRAF1BRAFLCKSRC
SCHEMBL3824106 0.82 KDR (0.60) BTKBRAFLCKSRCMAPK14
SCHEMBL3823342 0.82 LCK (0.65) RAF1BRAFLCKSRCMAPK14
SCHEMBL3824880 0.80 KDR (0.74) BTKBRAFLCKSRCMAPK14
SCHEMBL3593395 0.80 KDR (0.59) BTKRAF1BRAFLCKSRC
SCHEMBL3589391 0.79 KDR (0.59) BTKRAF1BRAFLCKSRC
SCHEMBL27720381 0.77 BTK (0.83) BTKBRAFLCKSRCABL1

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