SCHEMBL7699166

SCHEMBL7699166

COc1cc(Cc2cnc(N)nc2N)cc(C(=O)/C=C/N2CCc3ccccc3C2c2ccc(C)nc2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
SLC22A1 O15245 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DHFR P00374 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7698151 0.93 MEN1 (0.45) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7698149 0.93 SMN1; SMN2 (0.43) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7702860 0.93 MEN1 (0.45) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7706656 0.93 SMN1; SMN2 (0.48) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL8530631 0.92 MEN1 (0.43) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7700082 0.92 MEN1 (0.45) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7702762 0.92 MEN1 (0.45) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7704137 0.92 SMN1; SMN2 (0.42) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7705724 0.92 SMN1; SMN2 (0.42) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7703143 0.91 MEN1 (0.44) 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