SCHEMBL28306830

SCHEMBL28306830

C#Cc1c(F)cccc1F.C#Cc1cccc2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.36
ERN1 O75460 1/20 0.35
CYP3A4 P08684 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LMNA P02545 4/20 0.33
HTT P42858 2/20 0.33
ACACB O00763 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
BLM P54132 1/20 0.33
HIF1A Q16665 1/20 0.33
P2RX7 Q99572 1/20 0.33
GAA P10253 1/20 0.33
CYP11B2 P19099 2/20 0.33
PABPC1 P11940 1/20 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
SCHEMBL28307763 0.91 NCF1 (0.39) KDM4EMAPTMEN1KMT2ACYP1A2
SCHEMBL738596 0.87 MAPT (0.52) KDM4EMAPTPOLBCYP3A4MEN1
SCHEMBL20593896 0.81 KDM4E (0.42) KDM4EMAPTPOLBERN1CYP3A4
SCHEMBL28307761 0.77 LMNA (0.41) KDM4EMAPTCYP3A4MEN1KMT2A
SCHEMBL736202 0.75 NCF1 (0.50) KDM4EMAPTCYP3A4MEN1KMT2A
SCHEMBL30098629 0.75 NCF1 (0.50) KDM4EMAPTCYP3A4MEN1KMT2A
SCHEMBL30129911 0.74 KDM4E (0.58) KDM4EMAPTPOLBERN1CYP3A4
SCHEMBL2265617 0.74 KDM4E (0.58) KDM4EMAPTPOLBERN1CYP3A4
SCHEMBL20593899 0.72 NCF1 (0.41) KDM4EMAPTCYP1A2ACACBSMN1; SMN2
SCHEMBL30018921 0.72 NCF1 (0.41) KDM4EMAPTCYP1A2ACACBSMN1; SMN2

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
CN-106661031-B Pyrrolopyrimidine compounds or its salt, pharmaceutical composition and application containing it 大鹏药品工业株式会社 2019-07-23 CN disclosed