SCHEMBL30103069

SCHEMBL30103069

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.36
ROCK2 O75116 2/20 0.36
P2RX7 Q99572 3/20 0.35
GRK6 P43250 1/20 0.34
EPHX2 P34913 1/20 0.34
PPARG P37231 1/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2B Q13224 3/20 0.34
PLA2G2A P14555 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MET P08581 2/20 0.33
DHODH Q02127 1/20 0.33
POLB P06746 1/20 0.32
NPBWR1 P48145 1/20 0.32
LDHA P00338 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
SCHEMBL24785463 1.00 ALKBH1 (0.36) ALKBH1ROCK2P2RX7GRK6EPHX2
SCHEMBL24784629 0.94 ALKBH1 (0.36) ALKBH1ROCK2P2RX7GRK6EPHX2
SCHEMBL30017666 0.94 ALKBH1 (0.36) ALKBH1ROCK2P2RX7GRK6EPHX2
SCHEMBL30103053 0.94 P2RX7 (0.39) ALKBH1ROCK2P2RX7GRK6EPHX2
SCHEMBL24784614 0.94 P2RX7 (0.39) ALKBH1ROCK2P2RX7GRK6EPHX2
SCHEMBL30103075 0.94 ALKBH1 (0.34) ALKBH1ROCK2P2RX7GRK6EPHX2
SCHEMBL24784628 0.94 ALKBH1 (0.34) ALKBH1ROCK2P2RX7GRK6EPHX2
SCHEMBL24784634 0.91 GRIN1 (0.34) ALKBH1ROCK2P2RX7GRK6EPHX2
SCHEMBL30017932 0.91 GRIN1 (0.34) ALKBH1ROCK2P2RX7GRK6EPHX2
SCHEMBL24785460 0.91 ALKBH1 (0.41) ALKBH1ROCK2P2RX7GRK6EPHX2

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