SCHEMBL15975825

SCHEMBL15975825

COc1ccc(-c2nn3c(-c4cnc(N5CCN(C)CC5)c(C(C)(F)F)c4)cnc3s2)cc1OC

nearest known ligand 0.89

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.89
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DCTPP1 Q9H773 2/20 0.42
FYN P06241 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAK O14976 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL532280 0.94 PIK3CA (1.00) PIK3CAMKNK1MKNK2KDM4ETSHR
SCHEMBL15975810 0.91 PIK3CA (0.73) PIK3CAKDM4ETSHRMAPK1USP2
SCHEMBL532219 0.84 PIK3CA (0.82) PIK3CAKDM4EDCTPP1FYNMEN1
SCHEMBL2121133 0.83 PIK3CA (0.77) PIK3CAFYNGAK
SCHEMBL533182 0.82 PIK3CA (0.71) PIK3CAMKNK1MKNK2KDM4ETSHR
SCHEMBL532281 0.78 PIK3CA (0.72) PIK3CAKDM4ETSHRMAPK1USP2
SCHEMBL532633 0.77 PIK3CA (0.74) PIK3CAKDM4ETSHRMAPK1USP2
SCHEMBL532217 0.72 PIK3CA (0.64) PIK3CAKDM4ETSHRMAPK1USP2
SCHEMBL532196 0.72 PIK3CA (0.55) PIK3CAMKNK1MKNK2KDM4ETSHR
SCHEMBL15975821 0.72 PIK3CA (0.86) PIK3CAKDM4ETSHRUSP2ALDH1A1

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-8815918-B2 Imidazo [2, 1-B] [1, 3, 4] thiadiazole derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-08-26 US disclosed