SCHEMBL14213850

SCHEMBL14213850

Cc1ccc(NC(=O)c2cccc(CF)c2)cc1N1Cc2cnc(NCCCN3CCN(C)CC3)nc2N(C)C1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 18/20 0.67
MAP4K2 Q12851 18/20 0.67
ABL1 P00519 3/20 0.60
BMX P51813 4/20 0.59
LCK P06239 1/20 0.59
FES P07332 1/20 0.59
RET P07949 1/20 0.59
PDGFRB P09619 1/20 0.59
KIT P10721 1/20 0.59
FGFR1 P11362 1/20 0.59
SRC P12931 1/20 0.59
PDGFRA P16234 1/20 0.59
FLT1 P17948 1/20 0.59
FGFR3 P22607 1/20 0.59
EPHA3 P29320 1/20 0.59
KDR P35968 1/20 0.59
EPHB4 P54760 1/20 0.59
TEK Q02763 1/20 0.59
KARS1 Q15046 1/20 0.59
NTRK3 Q16288 1/20 0.59

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
SCHEMBL3135692 0.91 TNK2 (0.82) TNK2MAP4K2ABL1BMXLCK
SCHEMBL13523316 0.88 TNK2 (0.67) TNK2MAP4K2ABL1BMXLCK
SCHEMBL13523325 0.86 TNK2 (0.75) TNK2MAP4K2ABL1BMXLCK
SCHEMBL13523255 0.85 TNK2 (0.70) TNK2MAP4K2ABL1BMXLCK
SCHEMBL14213500 0.84 TNK2 (0.78) TNK2MAP4K2ABL1BMXLCK
SCHEMBL14213965 0.84 TNK2 (0.66) TNK2MAP4K2ABL1BMXLCK
SCHEMBL13523329 0.84 TNK2 (0.81) TNK2MAP4K2ABL1BMXLCK
SCHEMBL13523312 0.84 TNK2 (0.71) TNK2MAP4K2ABL1BMXLCK
SCHEMBL13523326 0.83 TNK2 (0.68) TNK2MAP4K2ABL1BMXLCK
SCHEMBL13523324 0.83 TNK2 (0.68) TNK2MAP4K2ABL1BMXLCK

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-7371750-B2 Diseases with abnormal activation of the Abl, BCR-Abl, Bmx, CSK, TrkB, FGFR3, Fes, Lck, B-RAF, C-RAF, MKK6, alpha and beta SAPK2 kinases; antiproliferative; pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-phenylcarbamoyl-phenyl]-amides and pyrrolo[3,2-c]pyridine analogs IRM LLC (BM) 2008-05-13 US disclosed