SCHEMBL18198366

SCHEMBL18198366

CCc1cc(C(C)=O)nc2cc(-c3ccc(N)cc3F)nn12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.34
FEN1 P39748 4/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
AHR P35869 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
TP53 P04637 1/20 0.31
FYN P06241 1/20 0.31
AXL P30530 1/20 0.31
GLA P06280 1/20 0.30

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
SCHEMBL20064783 0.88 ADORA3 (0.40) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL18198506 0.87 KDM4E (0.36) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL18198051 0.80 HPGD (0.46) KDM4EALDH1A1HPGDPOLBNPSR1
SCHEMBL18198380 0.80 HPGD (0.46) KDM4EALDH1A1HPGDPOLBNPSR1
SCHEMBL23953980 0.80 HPGD (0.46) KDM4EALDH1A1HPGDPOLBNPSR1
SCHEMBL18198326 0.79 KDM4E (0.36) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL18198351 0.78 MCL1 (0.36) KDM4EALDH1A1MAPTTP53
SCHEMBL20064800 0.77 KDM4E (0.35) KDM4EALDH1A1MAPTTP53
SCHEMBL20074019 0.77 MET (0.35) ALOX5APFEN1KDM4EMAPTPOLB
SCHEMBL20064762 0.76 ADORA2A (0.42) KDM4EALDH1A1HPGDMAPTPOLB

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
WO-2016174079-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2016-11-03 WO disclosed