SCHEMBL25902177

SCHEMBL25902177

O=c1c2cc(F)c(-c3ncc(C(F)(F)F)cn3)cc2ccn1CCC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.43
▸ KIT P10721 3/20 0.39
▸ LCK P06239 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ HTR1A P08908 3/20 0.38
▸ HTR2A P28223 3/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ ACHE P22303 1/20 0.37
▸ FLT3 P36888 4/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ CHEK1 O14757 2/20 0.34
▸ GRM4 Q14833 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ HCRTR1 O43613 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
SCHEMBL25902165 0.86 TIPARP (0.54) TIPARPKITLCKSRCKDR
SCHEMBL25900117 0.85 TIPARP (0.46) TIPARP
SCHEMBL25907752 0.85 TIPARP (0.53) TIPARPKITLCKSRCKDR
SCHEMBL25899525 0.84 TIPARP (0.44) TIPARPHTR1AHTR2ADRD2FLT3
SCHEMBL25900208 0.84 TIPARP (0.54) TIPARPKITLCKSRCKDR
SCHEMBL26793446 0.84 TIPARP (0.49) TIPARP
SCHEMBL25897832 0.83 TIPARP (0.49) TIPARP
SCHEMBL25907905 0.83 ACHE (0.39) DRD2ACHEHCRTR1
SCHEMBL25323238 0.82 TIPARP (0.48) TIPARPKITHTR1AHTR2ADRD2
SCHEMBL30550691 0.82 TIPARP (0.48) TIPARPKITHTR1AHTR2ADRD2

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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