SCHEMBL19089563

SCHEMBL19089563

C=CC(=O)Nc1cc(Nc2cc(-c3c[nH]c4ccccc34)ncn2)c(C=O)cc1N1CCN(c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.53
CDK2 P24941 4/20 0.53
DYRK1B Q9Y463 4/20 0.53
EGFR P00533 6/20 0.52
KCNH2 Q12809 1/20 0.52
JAK3 P52333 4/20 0.43
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
PIP4K2A P48426 3/20 0.42
PIP4K2B P78356 3/20 0.42
PIP4K2C Q8TBX8 2/20 0.42
PIKFYVE Q9Y2I7 1/20 0.41
PLCG1 P19174 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL19089560 0.90 EGFR (0.52) IGF1RCDK2DYRK1BEGFRKCNH2
SCHEMBL19089550 0.89 EGFR (0.67) IGF1RCDK2DYRK1BEGFRKCNH2
SCHEMBL20656036 0.86 EGFR (0.61) CDK2DYRK1BEGFRKCNH2JAK3
SCHEMBL19089559 0.86 EGFR (0.48) IGF1RCDK2DYRK1BEGFRKCNH2
SCHEMBL19089336 0.82 EGFR (0.76) IGF1RCDK2DYRK1BEGFRKCNH2
SCHEMBL19089328 0.80 EGFR (0.65) IGF1RCDK2DYRK1BEGFRKCNH2
SCHEMBL19089553 0.79 EGFR (0.72) IGF1RCDK2DYRK1BEGFRKCNH2
SCHEMBL19089554 0.79 EGFR (0.66) IGF1RCDK2DYRK1BEGFRKCNH2
SCHEMBL19089325 0.78 EGFR (0.65) IGF1RCDK2DYRK1BEGFRKCNH2
SCHEMBL19089321 0.78 EGFR (0.62) IGF1REGFRKCNH2

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
WO-2017114500-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN PHARMACY 恩瑞生物医药科技(上海)有限公司 2017-07-06 WO disclosed