SCHEMBL14218753

SCHEMBL14218753

C=C(Nc1cc(CN(C)C)cc(C(F)(F)F)c1)Nc1ccc(C)c(Nc2cc(C)nn2-c2cc(NC)ncn2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.36
LCK P06239 8/20 0.36
LYN P07948 8/20 0.36
SRC P12931 8/20 0.36
INSR P06213 7/20 0.36
HCK P08631 7/20 0.36
MAPK10 P53779 2/20 0.35
LMNA P02545 1/20 0.35
BRAF P15056 6/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SLC34A1 Q06495 1/20 0.34
RAF1 P04049 2/20 0.34
MAPK14 Q16539 2/20 0.34
TNNI3K Q59H18 1/20 0.34
TEK Q02763 1/20 0.34
MAP4K2 Q12851 1/20 0.33

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
SCHEMBL3588170 0.93 KDR (0.42) KDRLCKLYNSRCINSR
SCHEMBL3590408 0.88 BRAF (0.47) KDRLCKLYNSRCINSR
SCHEMBL3589488 0.88 BRAF (0.47) KDRLCKLYNSRCINSR
SCHEMBL3597510 0.83 BRAF (0.42) KDRLCKLYNSRCINSR
SCHEMBL3583837 0.83 LCK (0.44) KDRLCKLYNSRCINSR
SCHEMBL14218755 0.82 CSF1R (0.43) KDRLCKLYNSRCINSR
SCHEMBL14219020 0.81 BRAF (0.45) KDRLCKLYNSRCINSR
SCHEMBL3589393 0.81 LCK (0.48) KDRLCKLYNSRCINSR
SCHEMBL3590706 0.81 CSF1R (0.47) KDRLCKLYNSRCINSR
SCHEMBL9928651 0.81 LCK (0.43) KDRLCKLYNSRCINSR

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-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO disclosed