SCHEMBL14213779

SCHEMBL14213779

Cc1ccc(NC(=O)c2cccc(CF)c2)cc1-n1c(=O)c2cnc(N)nc2n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.47
TNK2 Q07912 5/20 0.47
MAP4K2 Q12851 5/20 0.47
PDGFRB P09619 4/20 0.47
LCK P06239 3/20 0.47
ABL1 P00519 3/20 0.47
EPHB4 P54760 2/20 0.47
KIT P10721 2/20 0.47
TEK Q02763 2/20 0.47
BMX P51813 2/20 0.47
FES P07332 1/20 0.47
RET P07949 1/20 0.47
FGFR1 P11362 1/20 0.47
SRC P12931 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47
EPHA3 P29320 1/20 0.47
KARS1 Q15046 1/20 0.47
NTRK3 Q16288 1/20 0.47

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
SCHEMBL3139779 0.87 TNK2 (0.62) KDRTNK2MAP4K2PDGFRBLCK
SCHEMBL14086059 0.80 KDR (0.48) KDRTNK2MAP4K2PDGFRBLCK
SCHEMBL30338817 0.77 SYK (0.57) KDRTNK2MAP4K2PDGFRBLCK
SCHEMBL14213500 0.77 TNK2 (0.78) KDRTNK2MAP4K2PDGFRBLCK
SCHEMBL3135923 0.77 SYK (0.57) KDRTNK2MAP4K2PDGFRBLCK
SCHEMBL3143228 0.76 KDR (0.52) KDRTNK2MAP4K2PDGFRBLCK
SCHEMBL3129666 0.75 TNK2 (0.50) KDRTNK2MAP4K2PDGFRBLCK
SCHEMBL3134722 0.74 TNK2 (0.65) TNK2MAP4K2LCKABL1BMX
SCHEMBL3144232 0.72 SYK (0.56) KDRTNK2MAP4K2PDGFRBLCK
SCHEMBL3132833 0.72 SYK (0.59) TNK2MAP4K2LCKABL1BMX

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