SCHEMBL4773748

SCHEMBL4773748

O=C(O)C(Cc1cnc(Cl)nc1Cl)c1c(Cl)cccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
P4HTM Q9NXG6 1/20 0.32
AKR1B1 P15121 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HPGD P15428 2/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CPB2 Q96IY4 2/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
KMO O15229 1/20 0.31
NPC1 O15118 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTPRC P08575 1/20 0.30
PTPRG P23470 1/20 0.30
CPA1 P15085 1/20 0.30
HAVCR2 Q8TDQ0 1/20 0.30

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
SCHEMBL4766678 0.85 ALDH1A1 (0.34) KMT2AMEN1HPGDNPC1SMN1; SMN2
SCHEMBL4767519 0.83 P4HTM (0.42) KMT2AMEN1P4HTMHDAC8PPARG
SCHEMBL4768134 0.78 P4HTM (0.35) P4HTMCPB2SMN1; SMN2
SCHEMBL4768165 0.78 CTSA (0.38) P4HTMPPARGPPARACPB2SMN1; SMN2
SCHEMBL4773852 0.78 PPARG (0.41) P4HTMPPARGPPARASMN1; SMN2
SCHEMBL4765186 0.76 CCKAR (0.43) KMT2AFABP4FABP5SMN1; SMN2
SCHEMBL4764854 0.74 CCKAR (0.45)
SCHEMBL4775316 0.73 JAK2 (0.46)
SCHEMBL4767426 0.73 KMT2A (0.41) KMT2AMEN1SMN1; SMN2
SCHEMBL4769975 0.72 ATF1 (0.39)

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-1581531-B1 PYRIDINO¬2,3-D PYRIMIDINE DERIVATIVES AS SELECTIIVE KDR AND FGFR INHIBITORS HOFFMANN LA ROCHE (CH) 2008-02-27 EP claimed