SCHEMBL25907670

SCHEMBL25907670

O=c1c2cc(F)c(-c3ncc(Cl)cn3)cc2ncn1CCC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.41
▸ EIF4EBP1 Q13541 5/20 0.40
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GRK2 P25098 1/20 0.37
▸ CYP2D6 P10635 2/20 0.36
▸ TGFBR1 P36897 2/20 0.34
▸ TGFBR2 P37173 2/20 0.34
▸ DDR1 Q08345 1/20 0.33
▸ USP19 O94966 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ LCK P06239 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ SRC P12931 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
SCHEMBL25908025 0.90 EIF4EBP1 (0.39) ACHEEIF4EBP1GRK2
SCHEMBL25907905 0.89 ACHE (0.39) ACHEEIF4EBP1LMNATSHRHTT
SCHEMBL25907918 0.82 TIPARP (0.40) ACHEEIF4EBP1LMNATSHRHTT
SCHEMBL25904008 0.81 EIF4EBP1 (0.41) EIF4EBP1GRK2DDR1
SCHEMBL25908034 0.79 DRD2 (0.40) ACHEEIF4EBP1GRK2DDR1
SCHEMBL25908014 0.78 TIPARP (0.39) ACHEEIF4EBP1GRK2
SCHEMBL25907877 0.77 TIPARP (0.44) ACHEEIF4EBP1GRK2
SCHEMBL25320462 0.77 TIPARP (0.42) EIF4EBP1GRK2
SCHEMBL25907928 0.76 ACHE (0.36) ACHELMNATSHRHTTNPSR1
SCHEMBL25899268 0.74 NPC1 (0.41) LMNATSHRNPSR1GRK2

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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