SCHEMBL7698151

SCHEMBL7698151

COc1cc(Cc2cnc(N)nc2N)cc(C(=O)/C=C/N2CCc3ccccc3C2c2ccc(C)cc2)c1OC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
SLC22A1 O15245 1/20 0.45
ALDH1A1 P00352 1/20 0.45
DHFR P00374 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL7706656 0.95 SMN1; SMN2 (0.48) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7700082 0.94 MEN1 (0.45) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7702762 0.94 MEN1 (0.45) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7703143 0.94 MEN1 (0.44) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7704122 0.94 MEN1 (0.44) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7699972 0.94 MEN1 (0.44) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7698324 0.94 MEN1 (0.45) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7699166 0.93 MEN1 (0.43) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7702299 0.93 SMN1; SMN2 (0.43) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7697829 0.93 SMN1; SMN2 (0.43) MEN1SLC22A1ALDH1A1DHFRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP claimed
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP claimed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO claimed
EP-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO disclosed