SCHEMBL25898722

SCHEMBL25898722

CCCn1ccc2nc(-c3ccc(C(F)(F)F)cn3)ccc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 3/20 0.39
▸ MCHR1 Q99705 5/20 0.36
▸ PTGES O14684 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ DDR1 Q08345 2/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35
▸ GPR139 Q6DWJ6 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ STAT3 P40763 1/20 0.34

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
SCHEMBL25897917 0.92 TLR8 (0.42) GRM2MCHR1PTGESKDM4EL3MBTL1
SCHEMBL25904615 0.92 KDM4E (0.37) MCHR1PTGESKDM4EL3MBTL1DDR1
SCHEMBL26795243 0.80 PDE1C (0.39) GRM2MCHR1KDM4E
SCHEMBL25897886 0.77 TLR8 (0.42) GRM2PTGESKDM4EL3MBTL1DDR1
SCHEMBL26785225 0.76 TIPARP (0.42) PTGESTRPV3GPR139PDE2A
SCHEMBL31362920 0.75 TIPARP (0.55) —
SCHEMBL25897920 0.75 TIPARP (0.55) —
SCHEMBL25898732 0.74 GRM2 (0.51) GRM2
SCHEMBL25897855 0.73 LMNA (0.39) MCHR1PTGESKDM4EL3MBTL1NPC1
SCHEMBL25897799 0.72 TIPARP (0.41) GRM2PTGESKDM4EDDR1LMNA

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-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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