SCHEMBL20053909

SCHEMBL20053909

Cc1ccnc(NC(=O)C2CCN(C)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.57
GSK3B P49841 5/20 0.57
DYRK1A Q13627 4/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
ALOX15 P16050 1/20 0.54
ABL1 P00519 1/20 0.54
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
WNT1 P04628 1/20 0.53
PIP5K1C O60331 1/20 0.53
PIK3CA P42336 1/20 0.53
MAPK8 P45983 1/20 0.52
MAPK10 P53779 1/20 0.52
HTR1F P30939 1/20 0.52

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
SCHEMBL10352589 0.90 ACVRL1 (0.61) PIK3C3GSK3BMEN1KMT2AALDH1A1
SCHEMBL12460810 0.88 MAPK8 (0.67) PIK3C3GSK3BDYRK1AMEN1KMT2A
SCHEMBL13922555 0.87 SMN1; SMN2 (0.61) GSK3BMEN1KMT2AALDH1A1ALOX15
SCHEMBL25131241 0.86 GSK3B (0.50) PIK3C3GSK3BDYRK1AMEN1KMT2A
SCHEMBL13922554 0.85 SMN1; SMN2 (0.64) GSK3BMEN1KMT2AALDH1A1ALOX15
SCHEMBL18170428 0.84 PIK3C3 (0.56) PIK3C3GSK3BDYRK1AABL1WNT1
SCHEMBL4339961 0.84 ALDH1A1 (0.60) PIK3C3GSK3BDYRK1AALDH1A1ABL1
SCHEMBL29676896 0.84 PIK3C3 (0.56) PIK3C3GSK3BDYRK1AABL1WNT1
SCHEMBL29012701 0.84 GSK3B (0.54) PIK3C3GSK3BDYRK1AMEN1KMT2A
Hydrochloric Acid SCHEMBL21640572 0.80 LMNA (0.51) GSK3BDYRK1AMEN1KMT2AALDH1A1

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
EP-3357921-A2 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Sunesis Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
EP-3080103-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-04-18 EP disclosed