SCHEMBL1695204

SCHEMBL1695204

Cc1nc2cccc(F)c2cc1C/C=N/O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 2/20 0.33
GPR3 P46089 1/20 0.33
PDE10A Q9Y233 1/20 0.32
HTT P42858 1/20 0.32
ERN1 O75460 1/20 0.32
GRM1 Q13255 1/20 0.32
MMP2 P08253 1/20 0.31

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
SCHEMBL1695176 0.82 KDM4E (0.37) KDM4ERAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2717595 0.80 MEN1 (0.44) KDM4EMEN1KMT2A
SCHEMBL24596021 0.76 SMN1; SMN2 (0.47) KDM4ERAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15660706 0.71 ALDH1A1 (0.55) KDM4ERAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1695203 0.70 ESR1 (0.37) KDM4ERAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14815893 0.70 ESR1 (0.37) KDM4ERAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14815892 0.70 ESR1 (0.37) KDM4ERAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL29098600 0.69 MTNR1A (0.43) KDM4ERAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28738484 0.69 ALDH1A1 (0.47) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1695020 0.68 GPR3 (0.41) KDM4EALDH1A1CYP1A2GPR3PDE10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588467-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
WO-2012003274-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed