SCHEMBL8320187

SCHEMBL8320187

CCCc1c(C#N)cnc(N)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 4/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
CSNK1A1 P48729 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
NOS2 P35228 1/20 0.38
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
USP7 Q93009 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.34
KDM5A P29375 1/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL8321298 0.90 KDM4E (0.45) MAPK1RECQLKMT2AMEN1KDM4E
SCHEMBL28289900 0.86 USP7 (0.41) MAPK1RECQLKMT2AMEN1KDM4E
SCHEMBL9068427 0.75 TP53 (0.46) MAPK1KMT2AMEN1KDM4ETSHR
SCHEMBL5200520 0.75 USP7 (0.43) MAPK1KMT2AMEN1KDM4ETSHR
SCHEMBL26324937 0.73 KDM5A (0.43) MAPK1RECQLKMT2AMEN1KDM4E
SCHEMBL8319699 0.73 KDM4E (0.39) KMT2AMEN1KDM4ETSHRHSD17B10
SCHEMBL10690802 0.73 KDM4E (0.44) KMT2AMEN1KDM4ETSHRHSD17B10
SCHEMBL26343118 0.72 KDM5A (0.44) MAPK1KMT2AMEN1KDM4ETSHR
SCHEMBL27883134 0.72 CSNK1A1 (0.47) MAPK1RECQLKDM4EGAAHTT
SCHEMBL20641250 0.71 CSNK1A1 (0.51) MAPK1RECQLKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638079-B1 DEAZAAMINOPTERINS FOR TREATMENT OF INFLAMMATION STANFORD RES INST INT (US) 1999-12-15 EP disclosed
EP-0638079-A1 DEAZAAMINOPTERINS FOR TREATMENT OF INFLAMMATION SRI INTERNATIONAL (US) 1995-02-15 EP disclosed
WO-1993022312-A1 DEAZAAMINOPTERINS FOR TREATMENT OF INFLAMMATION SRI INTERNATIONAL (US) 1993-11-11 WO disclosed