SCHEMBL8888015

SCHEMBL8888015

CCCCCCCCC(C)Nc1ncnc(OC)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.39
CCR4 P51679 1/20 0.36
IDO1 P14902 1/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
PGK1 P00558 1/20 0.34
SRC P12931 1/20 0.33
EGFR P00533 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
CCNB2 O95067 2/20 0.32
CDK1 P06493 2/20 0.32
CCNB1 P14635 2/20 0.32
CCNB3 Q8WWL7 2/20 0.32

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
SCHEMBL9197845 0.81 RPS6KB1 (0.40) RPS6KB1ADH1BADH1CADH1AADH4
SCHEMBL8888022 0.78 SMN1; SMN2 (0.49) CCR4SRCKDM4EMEN1NPC1
SCHEMBL8596772 0.76 RPS6KB1 (0.39) RPS6KB1IDO1ADH1BADH1CADH1A
SCHEMBL8886903 0.70 IDO1 (0.39) RPS6KB1IDO1ADH1BADH1CADH1A
SCHEMBL9383738 0.69 DYRK3 (0.47) RPS6KB1EGFRKDM4ERAB9ACDK1
SCHEMBL20652469 0.67 STK17A (0.36) RPS6KB1CCR4IDO1ADH1BADH1C
SCHEMBL19464345 0.64 L3MBTL1 (0.55) IDO1KDM4EMEN1NPC1RAB9A
SCHEMBL20746952 0.64 KMT2A (0.46) IDO1MEN1KMT2ALMNANPSR1
SCHEMBL8856312 0.64 PRSS1 (0.33) KDM4EMEN1KMT2ALMNATLR8
SCHEMBL22000398 0.63 SMN1; SMN2 (0.47) CCR4ADH1BADH1CADH1AADH4

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
US-5668140-A INSECTICIDE, ACARICIDE, NEMATOCIDE, FUNGICIDE HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-16 US disclosed
EP-0519211-A1 Substituted 4-aminopyrimidine, process for their preparation and their use as parasiticide Hoechst Schering AgrEvo GmbH (DE) 1992-12-23 EP disclosed