SCHEMBL30398918

SCHEMBL30398918

FC(F)(F)c1n[nH]c2nccnc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 11/20 0.37
▸ MAPK1 P28482 1/20 0.32
▸ CCNB2 O95067 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CCNB3 Q8WWL7 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL15935271 0.79 CDC7 (0.33) GRM4MAPK1CDK1GSK3AGSK3B
SCHEMBL19801401 0.72 GRM4 (0.33) GRM4MAPK1
SCHEMBL30328027 0.72 GRM4 (0.31) GRM4
SCHEMBL30316980 0.71 MAPK1 (0.35) GRM4MAPK1
SCHEMBL31303192 0.71 GRM4 (0.45) GRM4CYP1A2CYP2C19
SCHEMBL1496225 0.71 GRM4 (0.45) GRM4CYP1A2CYP2C19
SCHEMBL6358084 0.70 MAPK1 (0.38) GRM4MAPK1
SCHEMBL2675367 0.68 GRM4 (0.33) GRM4GSK3AGSK3BCYP1A2CYP2C19
SCHEMBL2693973 0.68 LRRK2 (0.38) GRM4CDK1GSK3AGSK3BCYP1A2
SCHEMBL2675127 0.68 GRM4 (0.31) GRM4CYP1A2CYP2C19

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-109789146-B Chemokine receptor modulators and uses thereof 拉普特医疗公司 2023-04-18 — — CN disclosed
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