SCHEMBL30103053

SCHEMBL30103053

COC(=O)c1cc(Cl)cc2cnn(Cc3cnc(-c4cc(F)cc(OC)c4)nc3)c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.39
ROCK2 O75116 2/20 0.34
ALKBH1 Q13686 1/20 0.34
NPBWR1 P48145 1/20 0.34
EPHX2 P34913 1/20 0.34
PPARG P37231 1/20 0.34
SHMT2 P34897 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MET P08581 3/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
POLB P06746 1/20 0.32
GRK6 P43250 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL24784614 1.00 P2RX7 (0.39) P2RX7ROCK2ALKBH1NPBWR1EPHX2
SCHEMBL24785463 0.94 ALKBH1 (0.36) P2RX7ROCK2ALKBH1NPBWR1EPHX2
SCHEMBL30103069 0.94 ALKBH1 (0.36) P2RX7ROCK2ALKBH1NPBWR1EPHX2
SCHEMBL30103035 0.92 P2RX7 (0.38) P2RX7ROCK2ALKBH1EPHX2PPARG
SCHEMBL24784619 0.92 P2RX7 (0.38) P2RX7ROCK2ALKBH1EPHX2PPARG
SCHEMBL24784629 0.90 ALKBH1 (0.36) P2RX7ROCK2ALKBH1EPHX2PPARG
SCHEMBL30017666 0.90 ALKBH1 (0.36) P2RX7ROCK2ALKBH1EPHX2PPARG
SCHEMBL24784628 0.89 ALKBH1 (0.34) P2RX7ROCK2ALKBH1EPHX2PPARG
SCHEMBL30103075 0.89 ALKBH1 (0.34) P2RX7ROCK2ALKBH1EPHX2PPARG
SCHEMBL24784639 0.88 MDM2 (0.34) NPBWR1SHMT2RAB9AMET

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
CN-115448913-A Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed