SCHEMBL19441981

SCHEMBL19441981

C=CC(O)Nc1cccc(N(C(=O)OCc2ccccc2)c2ccnc(Nc3cnn(CCN4CCOCC4)c3)n2)c1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.82
JAK3 P52333 8/20 0.39
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
KDR P35968 6/20 0.39
LCK P06239 4/20 0.39
SRC P12931 4/20 0.39
MAPK14 Q16539 4/20 0.39
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
TYK2 P29597 1/20 0.37
FGFR1 P11362 1/20 0.36
EPHB4 P54760 1/20 0.36
AURKB Q96GD4 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
SCHEMBL17857075 0.90 BTK (1.00) BTKJAK3JAK2JAK1TYK2
SCHEMBL19441958 0.89 BTK (0.81) BTKJAK3JAK2JAK1TYK2
SCHEMBL18411303 0.84 BTK (0.89) BTKJAK3JAK2JAK1TYK2
SCHEMBL18396633 0.79 BTK (0.81) BTKJAK3JAK2JAK1TYK2
SCHEMBL19441970 0.79 BTK (0.75) BTKJAK3JAK2JAK1TYK2
SCHEMBL17857095 0.79 BTK (0.83) BTKJAK3JAK2JAK1TYK2
SCHEMBL17857074 0.78 BTK (1.00) BTKJAK3JAK2JAK1TYK2
SCHEMBL17857072 0.77 BTK (1.00) BTKJAK3JAK2JAK1TYK2
SCHEMBL18411236 0.74 BTK (0.67) BTKJAK3JAK2JAK1KDR
SCHEMBL21081492 0.72 EGFR (0.52) BTKJAK3

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-9783504-B2 Kinase inhibitors for the treatment of disease DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-10 US disclosed