SCHEMBL13202040

SCHEMBL13202040

Cc1nc(N)ncc1C#Cc1ccc(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C2CCN(C)C2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.60
TEK Q02763 14/20 0.60
KDR P35968 12/20 0.60
KIT P10721 2/20 0.57
JAK2 O60674 1/20 0.57
NTRK1 P04629 1/20 0.57
INSR P06213 1/20 0.57
FES P07332 1/20 0.57
LYN P07948 1/20 0.57
FGR P09769 1/20 0.57
JAK1 P23458 1/20 0.57
CSK P41240 1/20 0.57
JAK3 P52333 1/20 0.57
EPHB4 P54760 1/20 0.57
MTOR P42345 2/20 0.43
WDR5 P61964 1/20 0.36

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
SCHEMBL2974807 1.00 LCK (0.60) LCKTEKKDRKITJAK2
SCHEMBL2967751 1.00 LCK (0.60) LCKTEKKDRKITJAK2
SCHEMBL2960989 0.92 LCK (0.70) LCKTEKKDRKITJAK2
SCHEMBL2965445 0.92 LCK (0.70) LCKTEKKDRKITJAK2
SCHEMBL13202032 0.92 LCK (0.70) LCKTEKKDRKITJAK2
SCHEMBL2966352 0.87 LCK (0.72) LCKTEKKDRKITJAK2
SCHEMBL13349377 0.86 LCK (0.50) LCKTEKKDRKITJAK2
SCHEMBL13349312 0.86 LCK (0.50) LCKTEKKDRKITJAK2
SCHEMBL13219917 0.86 LCK (0.50) LCKTEKKDRKITJAK2
SCHEMBL2965653 0.85 TEK (0.59) LCKTEKKDRKITJAK2

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
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed