SCHEMBL4768134

SCHEMBL4768134

O=C(O)C(Cc1cnc(Cl)nc1Cl)c1ccncc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.35
P2RX7 Q99572 5/20 0.33
CPB2 Q96IY4 3/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM1 P11229 1/20 0.32
GAA P10253 1/20 0.31
GRM8 O00222 1/20 0.31
GRM4 Q14833 1/20 0.31
POLB P06746 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
ROCK2 O75116 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CCKAR P32238 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
SCHEMBL4767519 0.89 P4HTM (0.42) P4HTMHTTSMN1; SMN2POLBCCKAR
SCHEMBL4773852 0.86 PPARG (0.41) P4HTMLMNASMN1; SMN2GRM8GRM4
SCHEMBL4771490 0.84 CYP2C9 (0.40) LMNAPOLB
SCHEMBL4764854 0.82 CCKAR (0.45) POLBAKR1C3AKR1C2CCKAR
SCHEMBL4773748 0.78 KMT2A (0.35) P4HTMCPB2SMN1; SMN2
SCHEMBL4770006 0.77 NFKB1 (0.47) AKR1C3AKR1C2
SCHEMBL4769975 0.77 ATF1 (0.39) AKR1C3AKR1C2CCKAR
SCHEMBL4775298 0.77 ACHE (0.41) LMNASMN1; SMN2POLBAKR1C3AKR1C2
SCHEMBL4768165 0.75 CTSA (0.38) P4HTMCPB2SMN1; SMN2ROCK2
SCHEMBL4767426 0.75 KMT2A (0.41) LMNASMN1; SMN2CHRM1

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