SCHEMBL7702899

SCHEMBL7702899

COc1ccnc(C2c3ccccc3CCN2/C=C/C(=O)c2cc(Cc3cnc(N)nc3N)cc(OC)c2OC)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
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

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
SCHEMBL7705940 0.93 SMN1; SMN2 (0.42) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL7699134 0.93 MEN1 (0.45) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL7698069 0.93 MEN1 (0.45) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL7703627 0.92 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL7703562 0.91 MEN1 (0.43) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL7700036 0.90 SMN1; SMN2 (0.42) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL7702762 0.90 MEN1 (0.45) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL7699840 0.90 SMN1; SMN2 (0.43) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL7706753 0.90 SMN1; SMN2 (0.43) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL7702860 0.89 MEN1 (0.45) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR

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 3 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 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