SCHEMBL7703967

SCHEMBL7703967

O=C(O)c1cnc(OCCC2CCCCN2)nc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 3/20 0.41
CHEK2 O96017 1/20 0.41
LTA4H P09960 5/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
KMT2A Q03164 1/20 0.39
PBK Q96KB5 1/20 0.39
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6016348 0.75 KDM4E (0.51) LTA4HKMT2A
SCHEMBL6016364 0.72 ALDH1A1 (0.47) MAPK1KMT2APOLB
SCHEMBL6016539 0.71 KDM4E (0.53) MKNK1KMT2APOLB
SCHEMBL6016487 0.71 MEN1 (0.46) MAPK1KMT2A
SCHEMBL4965391 0.70 LTA4H (0.64) LTA4HKMT2APOLB
SCHEMBL8716635 0.69 CHEK2 (0.46) CHEK2LTA4HMAPK1CYP1A2CYP3A4
SCHEMBL6016481 0.69 ALDH1A1 (0.49) MAPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3866051 0.69 CHEK2 (0.56) CHEK2LTA4HMAPK1KMT2A
SCHEMBL7335065 0.69 LTA4H (0.54) CHEK2LTA4HKMT2A
SCHEMBL6053346 0.69 CHEK2 (0.58) CHEK2LTA4HKMT2A

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-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 EP disclosed
WO-2000073279-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 WO disclosed