SCHEMBL13202028

SCHEMBL13202028

Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C2CCC(C)C2)cc1C#Cc1cnc(N)nc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TEK Q02763 13/20 0.62
LCK P06239 12/20 0.62
KDR P35968 10/20 0.59
ABL1 P00519 3/20 0.51
BCR P11274 3/20 0.51
KIT P10721 5/20 0.47
JAK2 O60674 1/20 0.44
NTRK1 P04629 1/20 0.44
INSR P06213 1/20 0.44
FES P07332 1/20 0.44
LYN P07948 1/20 0.44
FGR P09769 1/20 0.44
JAK1 P23458 1/20 0.44
CSK P41240 1/20 0.44
JAK3 P52333 1/20 0.44
EPHB4 P54760 1/20 0.44
DDR1 Q08345 1/20 0.43
DDR2 Q16832 1/20 0.43

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
SCHEMBL2965417 0.88 LCK (0.66) TEKLCKKDRABL1BCR
SCHEMBL13219915 0.87 LCK (0.46) TEKLCKKDRABL1KIT
SCHEMBL13315425 0.87 LCK (0.65) TEKLCKKDRABL1BCR
SCHEMBL2974084 0.87 LCK (0.65) TEKLCKKDRABL1BCR
SCHEMBL2965527 0.86 TEK (0.70) TEKLCKKDRABL1BCR
SCHEMBL2977313 0.81 TEK (0.70) TEKLCKKDRABL1BCR
SCHEMBL2962918 0.81 TEK (0.73) TEKLCKKDRABL1BCR
SCHEMBL2964117 0.79 TEK (0.66) TEKLCKKDRABL1BCR
SCHEMBL2976292 0.79 TEK (0.77) TEKLCKKDRABL1BCR
SCHEMBL13202027 0.79 TEK (0.77) TEKLCKKDRABL1BCR

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