SCHEMBL3934754

SCHEMBL3934754

CNc1cncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)c1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.79
MAPK14 Q16539 4/20 0.79
KIT P10721 3/20 0.79
SRC P12931 2/20 0.79
ABL1 P00519 1/20 0.79
BRAF P15056 5/20 0.76
CSF1R P07333 3/20 0.76
BTK Q06187 11/20 0.70
KDR P35968 3/20 0.70
CYP2C9 P11712 3/20 0.67
BLK P51451 2/20 0.61
EGFR P00533 1/20 0.61
ERBB2 P04626 1/20 0.61
TEC P42680 1/20 0.61
TXK P42681 1/20 0.61
BMX P51813 1/20 0.61
JAK3 P52333 1/20 0.61
ERBB4 Q15303 1/20 0.61

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
SCHEMBL3943066 0.92 LCK (0.79) LCKMAPK14KITSRCABL1
SCHEMBL27699869 0.91 LCK (0.81) LCKMAPK14KITSRCABL1
SCHEMBL3935655 0.90 BRAF (0.77) LCKMAPK14KITSRCABL1
SCHEMBL3933392 0.90 LCK (0.79) LCKMAPK14KITSRCABL1
SCHEMBL3940112 0.89 LCK (0.75) LCKMAPK14KITSRCABL1
SCHEMBL3935008 0.89 LCK (0.78) LCKMAPK14KITSRCABL1
SCHEMBL3935176 0.89 LCK (0.78) LCKMAPK14KITSRCABL1
SCHEMBL27720421 0.89 LCK (0.78) LCKMAPK14KITSRCABL1
SCHEMBL2947918 0.89 LCK (1.00) LCKMAPK14KITSRCABL1
SCHEMBL3932672 0.88 LCK (0.74) LCKMAPK14KITSRCABL1

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
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed