SCHEMBL14213438

SCHEMBL14213438

C=C/C(=C\C(=C/C)C(=C)Nc1ccc(C)c(N2Cc3cnc(Nc4cccc(N(C)C)c4)nc3N(C)C2=O)c1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BMX P51813 16/20 0.60
TNK2 Q07912 5/20 0.55
MAP4K2 Q12851 5/20 0.55
ABL1 P00519 2/20 0.55
BCR P11274 1/20 0.52
RIPK1 Q13546 1/20 0.52
RIPK3 Q9Y572 1/20 0.52

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
SCHEMBL13521817 0.82 BMX (0.65) BMXTNK2MAP4K2ABL1BCR
SCHEMBL3135665 0.80 TNK2 (0.84) BMXTNK2MAP4K2ABL1BCR
SCHEMBL13521818 0.79 TNK2 (0.77) BMXTNK2MAP4K2ABL1BCR
SCHEMBL3827669 0.78 TNK2 (0.66) BMXTNK2MAP4K2ABL1BCR
SCHEMBL3136039 0.78 BMX (0.57) BMXTNK2MAP4K2ABL1BCR
SCHEMBL3139709 0.78 TNK2 (0.73) BMXTNK2MAP4K2ABL1BCR
SCHEMBL3139610 0.77 TNK2 (0.72) BMXTNK2MAP4K2ABL1BCR
SCHEMBL3139703 0.77 BMX (0.59) BMXTNK2MAP4K2ABL1BCR
SCHEMBL13523332 0.76 TNK2 (0.71) BMXTNK2MAP4K2ABL1BCR
SCHEMBL3134937 0.75 TNK2 (0.69) BMXTNK2MAP4K2ABL1BCR

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