SCHEMBL16660290

SCHEMBL16660290

CC1CC(Nc2cc(C(=O)NCCN3CCOCC3)nc(/C=C/c3cccc(NC(=O)C4CC4)c3)n2)=NN1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
EPHX2 P34913 6/20 0.38
MAPK14 Q16539 1/20 0.37
IGF1R P08069 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TGFBR1 P36897 1/20 0.36
JAK1 P23458 1/20 0.36
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.35
KCNH2 Q12809 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL16660271 0.85 ALDH1A1 (0.46) SMN1; SMN2TGFBR1LMNAKMT2AALDH1A1
SCHEMBL10122962 0.85 AURKA (0.49) DYRK1AIGF1RTGFBR1JAK1TYK2
SCHEMBL10122960 0.72 AURKA (0.54) IGF1RSMN1; SMN2TGFBR1LMNAKMT2A
SCHEMBL10123046 0.69 ALDH1A1 (0.49) SMN1; SMN2TGFBR1LMNAKMT2AALDH1A1
SCHEMBL10122991 0.69 AURKA (0.49) IGF1RSMN1; SMN2TGFBR1LMNAKMT2A
SCHEMBL14546516 0.68 ALDH1A1 (0.49) SMN1; SMN2TGFBR1LMNAKMT2AALDH1A1
SCHEMBL10123002 0.68 AURKA (0.48) EPHX2IGF1RLMNAALDH1A1TSHR
SCHEMBL10123026 0.66 AURKA (0.47) IGF1RSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL10123014 0.66 AURKA (0.49) IGF1RLMNAALDH1A1GAATYK2
SCHEMBL10122964 0.65 AURKA (0.50) IGF1RTGFBR1JAK1TYK2

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
EP-1928456-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS INC (US) 2015-04-22 EP disclosed