SCHEMBL7705940

SCHEMBL7705940

COc1cc(Cc2cnc(N)nc2N)cc(C(=O)/C=C/N2CCc3ccccc3C2c2cc(Cl)ccn2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
SLC22A1 O15245 1/20 0.42
ALDH1A1 P00352 1/20 0.42
DHFR P00374 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7702899 0.93 SMN1; SMN2 (0.43) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL7698069 0.92 MEN1 (0.45) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL7699134 0.92 MEN1 (0.45) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL7699850 0.92 SMN1; SMN2 (0.43) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL7703627 0.91 SMN1; SMN2 (0.41) SMN1; SMN2
SCHEMBL7703562 0.91 MEN1 (0.43) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL7705722 0.90 SMN1; SMN2 (0.42) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL7704122 0.90 MEN1 (0.44) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL7706753 0.89 SMN1; SMN2 (0.43) SMN1; SMN2MEN1SLC22A1ALDH1A1DHFR
SCHEMBL7699840 0.89 SMN1; SMN2 (0.43) 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 1 patent. 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