SCHEMBL4100222

SCHEMBL4100222

COc1cc(COc2cc(-c3cnc(NCc4ccccn4)nc3N)n[nH]2)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.48
FGFR1 P11362 3/20 0.48
KDR P35968 3/20 0.48
VNN1 O95497 1/20 0.40
PDE6D O43924 1/20 0.40
PDE6A P16499 1/20 0.40
PDE6G P18545 1/20 0.40
PDE6B P35913 1/20 0.40
PDE6C P51160 1/20 0.40
PDE6H Q13956 1/20 0.40
PDE10A Q9Y233 1/20 0.40
ADORA2A P29274 5/20 0.39
ADORA1 P30542 5/20 0.39
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALPL P05186 1/20 0.36
ALPG P10696 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4092263 0.84 KDM4E (0.41) IGF1RFGFR1KDRADORA2AADORA1
SCHEMBL4099760 0.78 IGF1R (0.74) IGF1RFGFR1KDRPDE6DPDE6A
SCHEMBL27773464 0.73 IGF1R (0.47) IGF1RFGFR1KDRMEN1KMT2A
SCHEMBL18292338 0.68 MAOA (0.60) IGF1RFGFR1KDRVNN1PDE6D
SCHEMBL3982541 0.67 IGF1R (0.77) IGF1RFGFR1KDRVNN1PDE6D
SCHEMBL19406645 0.67 VNN1 (0.53) IGF1RFGFR1KDRVNN1ADORA2A
SCHEMBL27997938 0.67 PIK3CA (0.49) IGF1RFGFR1VNN1ADORA2AADORA1
SCHEMBL4011600 0.66 DYRK1A (0.43) FGFR1KDRGAAMAPTALDH1A1
SCHEMBL4608258 0.62 DHFR (0.46) FGFR1ALDH1A1TSHRHSD17B10DHFR
SCHEMBL3983403 0.62 IGF1R (0.67) IGF1RFGFR1KDRALDH1A1KDM4E

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
WO-2009056886-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF FGFR ACTIVITY ASTRAZENECA AB (SE) 2009-05-07 WO disclosed