SCHEMBL19623402

SCHEMBL19623402

CNS(=O)(=O)c1cccc(-c2nc(N3CCCCC3)nc3c2CCC3)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
DGAT2 Q96PD7 1/20 0.39
GBA1 P04062 1/20 0.38
CYP11B2 P19099 1/20 0.38
APP P05067 2/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
RORC P51449 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD4 O60885 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL24698949 0.85 SYK (0.38) DGAT2CYP11B2ALDH1A1BRD4
SCHEMBL24698468 0.83 CA1 (0.42) GBA1
SCHEMBL19623475 0.80 ACHE (0.51) IGF1RLMNAMAPTGBA1APP
SCHEMBL19623831 0.78 PIK3CA (0.49) IGF1RLMNAMAPTALDH1A1RAB9A
SCHEMBL19623781 0.78 KMT2A (0.46) IGF1RMAPTGBA1APPBCHE
SCHEMBL24697549 0.76 PIK3CA (0.54) GBA1MEN1KMT2ABRD4
SCHEMBL24698300 0.76 IGF1R (0.40) IGF1RLMNAMAPTGBA1APP
SCHEMBL24698819 0.75 PRMT6 (0.44) IGF1RLMNAGBA1ALDH1A1
SCHEMBL24697805 0.74 CASP1 (0.44) LMNAALDH1A1KMT2A
SCHEMBL24697555 0.74 PIK3CA (0.49) IGF1RLMNAGBA1ALDH1A1MEN1

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-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed