SCHEMBL18494150

SCHEMBL18494150

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(NC(C)c2ccccc2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.73
ALK Q9UM73 14/20 0.66
INSR P06213 8/20 0.66
IGF1R P08069 7/20 0.66
EGFR P00533 4/20 0.66
JAK2 O60674 4/20 0.66
SRC P12931 4/20 0.66
TNK2 Q07912 4/20 0.66
MAP3K7 O43318 2/20 0.63
AXL P30530 2/20 0.61
BMPR1B O00238 1/20 0.59
PLK4 O00444 1/20 0.59
STK25 O00506 1/20 0.59
RIOK3 O14730 1/20 0.59
CHEK1 O14757 1/20 0.59
CASK O14936 1/20 0.59
AURKA O14965 1/20 0.59
GAK O14976 1/20 0.59
DCLK1 O15075 1/20 0.59
MUSK O15146 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
SCHEMBL18488277 1.00 JAK3 (0.73) JAK3ALKINSRIGF1REGFR
SCHEMBL20444222 1.00 JAK3 (0.73) JAK3ALKINSRIGF1REGFR
SCHEMBL24258103 0.93 JAK3 (0.68) JAK3ALKINSRIGF1REGFR
SCHEMBL24258104 0.93 JAK3 (0.68) JAK3ALKINSRIGF1REGFR
SCHEMBL26361378 0.92 JAK3 (0.68) JAK3ALKINSRIGF1REGFR
SCHEMBL26361376 0.92 JAK3 (0.68) JAK3ALKINSRIGF1REGFR
SCHEMBL17209893 0.85 JAK3 (1.00) JAK3ALKEGFRJAK2PLK4
SCHEMBL24255230 0.83 ALK (0.74) JAK3ALKINSRIGF1REGFR
SCHEMBL24258110 0.82 ALK (0.67) JAK3ALKINSRIGF1REGFR
SCHEMBL24258141 0.82 ALK (0.67) JAK3ALKINSRIGF1REGFR

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-2017023899-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2017-02-09 WO disclosed