SCHEMBL13985157

SCHEMBL13985157

CCCC(=NNC(=N)N)c1ccc(NC(=O)Nc2ccc(/C(CCC)=N\NC(=N)N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
CHUK O15111 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
PAK4 O96013 1/20 0.42
CHEK2 O96017 1/20 0.42
CDK1 P06493 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42

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
SCHEMBL13966280 1.00 TP53 (0.48) TP53KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL13941363 1.00 TP53 (0.48) TP53KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL13941359 0.94 PLK4 (0.49) TP53KMT2APLK4CHEK1AURKA
SCHEMBL13941574 0.94 TP53 (0.43) TP53KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL13985291 0.94 TP53 (0.45) TP53KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL13941566 0.92 PLK4 (0.47) TP53KMT2APLK4CHEK1AURKA
SCHEMBL13985294 0.90 MAPT (0.45) TP53KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL13431059 0.89 TP53 (0.61) TP53KDM4ESMN1; SMN2KMT2AALDH1A1
SCHEMBL21882634 0.80 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL17560850 0.79 SMN1; SMN2 (0.53) KDM4ESMN1; SMN2KMT2AALDH1A1MAPT

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
US-8765802-B2 Kinase inhibitors, compositions thereof, and methods of use therewith PROVID PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
EP-2155675-B1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS INC (US) 2014-02-19 EP disclosed
WO-2008156573-A1 KINASE INHIBITORS, COMPOSITIONS THEREOF, AND METHODS OF USE THEREWITH PROVID PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed