SCHEMBL30961283

SCHEMBL30961283

Oc1ncc(-c2cnn(C(F)F)c2)c(O)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ GRM2 Q14416 7/20 0.35
▸ PDE3B Q13370 4/20 0.33
▸ PDE3A Q14432 4/20 0.33
▸ NTRK1 P04629 2/20 0.33
▸ RET P07949 1/20 0.33
▸ PIK3CD O00329 3/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ TTK P33981 1/20 0.31
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CG P48736 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
SCHEMBL30961340 0.76 MAP4K4 (0.41) IRAK4GRM2
SCHEMBL30961334 0.72 CCNC (0.37) IRAK4GRM2PDE3BPDE3ANTRK1
SCHEMBL30961412 0.72 FFAR1 (0.41) IRAK4GRM2PIK3CDTTKPIK3CG
SCHEMBL18797473 0.68 FPR2 (0.43) GRM2PDE3BPDE3ANTRK1CCNC
SCHEMBL30961442 0.67 FEN1 (0.43) NTRK1TTK
SCHEMBL30961387 0.67 PIK3CD (0.40) IRAK4GRM2PDE3BPDE3ANTRK1
SCHEMBL22715404 0.66 — —
SCHEMBL30961311 0.65 AKT1 (0.38) —
SCHEMBL30025242 0.64 KDM4E (0.41) GRM2PDE3BPDE3APIK3CDCCNC
SCHEMBL23535770 0.64 BCL2L1 (0.46) —

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
WO-2024125451-A1 PIPERINDIN-ONES DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-20 — — WO disclosed
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