SCHEMBL7698069

SCHEMBL7698069

COc1cc(Cc2cnc(N)nc2N)cc(C(=O)/C=C/N2CCc3ccccc3[C@@H]2c2ccccn2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 12)

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
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7699134 1.00 MEN1 (0.45) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7703611 0.94
SCHEMBL7705625 0.93 SMN1; SMN2 (0.42) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7700036 0.93 SMN1; SMN2 (0.42) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7703562 0.93 MEN1 (0.43) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7705722 0.93 SMN1; SMN2 (0.42) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7702899 0.93 SMN1; SMN2 (0.43) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7699840 0.93 SMN1; SMN2 (0.43) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7706753 0.93 SMN1; SMN2 (0.43) MEN1SLC22A1ALDH1A1DHFRCYP3A4
SCHEMBL7705940 0.92 SMN1; SMN2 (0.42) 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 4 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-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