SCHEMBL4092263

SCHEMBL4092263

Nc1nc(NCc2ccccn2)ncc1-c1cc(OCc2cccc(F)c2)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
APP P05067 1/20 0.40
IGF1R P08069 4/20 0.37
FGFR1 P11362 3/20 0.37
KDR P35968 3/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
RPS6KB1 P23443 1/20 0.36
MPO P05164 1/20 0.36
CCNT1 O60563 1/20 0.36
SLC6A2 P23975 1/20 0.36
CACNA2D1 P54289 1/20 0.36
MGMT P16455 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 1/20 0.35
GRM5 P41594 1/20 0.35
MAOB P27338 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4100222 0.84 IGF1R (0.48) KDM4EIGF1RFGFR1KDRADORA2A
SCHEMBL3980174 0.78 IGF1R (0.56) KDM4EIGF1RFGFR1KDR
SCHEMBL27773464 0.73 IGF1R (0.47) IGF1RFGFR1KDRMEN1KMT2A
SCHEMBL27997938 0.69 PIK3CA (0.49) KDM4EIGF1RFGFR1ADORA2AADORA1
SCHEMBL4016083 0.68 MAOB (0.54) MPOMGMTPTGS1PTGS2MAOB
SCHEMBL19406645 0.67 VNN1 (0.53) KDM4EIGF1RFGFR1KDRADORA2A
SCHEMBL4118654 0.66 AURKA (0.48) MPOPTGS1PTGS2CYP1A2GRM5
SCHEMBL4032661 0.64 IGF1R (0.59) IGF1RFGFR1KDR
SCHEMBL7400760 0.63 KDM4E (0.56) KDM4EPTGS1PTGS2MAOBALDH1A1
SCHEMBL30515507 0.61 FLT3 (0.45) KDRL3MBTL1ALDH1A1

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