SCHEMBL25899525

SCHEMBL25899525

CCn1ccc2cc(-c3ncc(C(F)(F)F)cn3)c(F)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.44
▸ DDR1 Q08345 6/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ GRM2 Q14416 1/20 0.33
▸ SIK1 P57059 1/20 0.32
▸ SIK2 Q9H0K1 1/20 0.32
▸ SIK3 Q9Y2K2 1/20 0.32
▸ MAP3K5 Q99683 1/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC5 Q9UQL6 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
SCHEMBL25900117 0.92 TIPARP (0.46) TIPARPDDR1GRM2
SCHEMBL26793446 0.90 TIPARP (0.49) TIPARPDDR1GRM2HDAC1HDAC6
SCHEMBL25897832 0.89 TIPARP (0.49) TIPARPGRM2SIK1SIK2SIK3
SCHEMBL25898542 0.88 TIPARP (0.48) TIPARPGRM2SIK1SIK2SIK3
SCHEMBL25907626 0.87 TIPARP (0.46) TIPARPDDR1GRM2HTR1AHTR2A
SCHEMBL25900587 0.86 TIPARP (0.40) TIPARPCHEK1FLT3SIK1SIK2
SCHEMBL25907789 0.84 TIPARP (0.46) TIPARPDDR1FLT3SIK1SIK2
SCHEMBL25902177 0.84 TIPARP (0.43) TIPARPCHEK1FLT3HTR1AHTR2A
SCHEMBL25320871 0.84 TIPARP (0.54) TIPARPDDR1GRM2SIK1SIK2
SCHEMBL30550884 0.84 TIPARP (0.54) TIPARPDDR1GRM2SIK1SIK2

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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