SCHEMBL9287754

SCHEMBL9287754

C=CCNc1nc(NCC=C)c2ccccc2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUMO3 P55854 1/20 0.72
SUMO2 P61956 1/20 0.72
SUMO1 P63165 1/20 0.72
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
MAPT P10636 3/20 0.62
RAB9A P51151 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
GAA P10253 1/20 0.62
KDM4E B2RXH2 4/20 0.62
GLA P06280 1/20 0.62
TSHR P16473 1/20 0.62
NPY1R P25929 1/20 0.62
HSD17B10 Q99714 1/20 0.62
RAD52 P43351 1/20 0.61
ALDH1A1 P00352 3/20 0.59
LMNA P02545 1/20 0.59
PKM P14618 1/20 0.59
UBE2N P61088 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59

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
SCHEMBL4977971 0.84 APP (0.63) SUMO3SUMO2SUMO1KMT2AMEN1
SCHEMBL4980653 0.84 KMT2A (0.59) SUMO3SUMO2SUMO1KMT2AMEN1
SCHEMBL4864986 0.83 PDE5A (0.64) SUMO3SUMO2SUMO1KMT2AMEN1
SCHEMBL5238637 0.79 KMT2A (0.54) SUMO3SUMO2SUMO1KMT2AMEN1
SCHEMBL7687770 0.78 SUMO3 (0.49) SUMO3SUMO2SUMO1KMT2AMEN1
SCHEMBL7679071 0.78 SUMO3 (0.49) SUMO3SUMO2SUMO1KMT2AMEN1
SCHEMBL4864291 0.78 KDM4E (0.53) SUMO3SUMO2SUMO1KMT2AMEN1
SCHEMBL560210 0.77 POLB (0.58) SUMO3SUMO2SUMO1KMT2AMEN1
SCHEMBL11237247 0.77 SMN1; SMN2 (1.00) SUMO3SUMO2SUMO1KMT2AMEN1
SCHEMBL12175837 0.76 RAD52 (1.00) KMT2AMEN1MAPTKDM4ERAD52

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
EP-0572437-B1 2,4-DIAMINOQUINAZOLINES DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY PFIZER (US) 1995-04-26 EP disclosed