SCHEMBL25904508

SCHEMBL25904508

O=c1[nH]ncc(N[C@H]2CCCC(Cn3ccc4cc(-c5ccc(C(F)(F)F)cn5)c(F)cc4c3=O)C2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 12/20 0.44
▸ KIT P10721 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ GRM4 Q14833 1/20 0.33
▸ ROCK2 O75116 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ TNKS O95271 1/20 0.33
▸ PARP14 Q460N5 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP12 Q9H0J9 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ PDE9A O76083 1/20 0.32
▸ MAT2A P31153 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ PARP1 P09874 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
SCHEMBL26658767 1.00 TIPARP (0.44) TIPARPKITFLT3GRM4ROCK2
SCHEMBL25904908 0.95 TIPARP (0.44) TIPARPKITFLT3GRM4TNKS
SCHEMBL25904910 0.95 TIPARP (0.44) TIPARPKITFLT3GRM4TNKS
SCHEMBL25904816 0.94 TIPARP (0.42) TIPARPKITFLT3GRM4ROCK2
SCHEMBL26658718 0.93 TIPARP (0.46) TIPARPKITFLT3GRM4METAP2
SCHEMBL25320275 0.92 TIPARP (0.50) TIPARPKITFLT3GRM4ROCK2
SCHEMBL25903612 0.92 TIPARP (0.50) TIPARPKITFLT3GRM4ROCK2
SCHEMBL30550654 0.92 TIPARP (0.50) TIPARPKITFLT3GRM4ROCK2
SCHEMBL25903730 0.92 TIPARP (0.50) TIPARPKITFLT3GRM4ROCK2
SCHEMBL26658809 0.90 TIPARP (0.44) TIPARPKITFLT3GRM4ROCK2

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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