SCHEMBL25898123

SCHEMBL25898123

CCCCCn1ccc2cc(-c3cnc(C#N)cn3)c(F)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 10/20 0.43
▸ TIPARP Q7Z3E1 6/20 0.37
▸ TNF P01375 3/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 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
SCHEMBL25898373 0.83 NPC1 (0.40) GRM2TIPARPTNFHDAC3HDAC1
SCHEMBL25898159 0.82 TIPARP (0.43) GRM2TIPARPTNFHDAC3HDAC1
SCHEMBL25899760 0.81 TIPARP (0.41) GRM2TIPARPTNFHDAC3HDAC1
SCHEMBL25898407 0.80 TIPARP (0.48) GRM2TIPARPTNFHDAC3HDAC1
SCHEMBL25897799 0.80 TIPARP (0.41) GRM2TIPARPTNFHDAC3HDAC1
SCHEMBL25898617 0.79 TIPARP (0.41) GRM2TIPARPTNF
SCHEMBL25898347 0.79 BRD4 (0.40) GRM2TIPARPTNFHDAC3HDAC1
SCHEMBL25898391 0.79 TIPARP (0.46) GRM2TIPARPTNFHDAC3HDAC1
SCHEMBL26789113 0.79 TIPARP (0.48) GRM2TIPARPTNFHDAC3HDAC1
SCHEMBL25898742 0.77 TIPARP (0.46) GRM2TIPARPTNFHDAC3HDAC1

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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