SCHEMBL9235109

SCHEMBL9235109

Nc1nc2[nH]cnc2c(=O)n1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRAP1 Q12931 2/20 0.43
▸ HSP90B1 P14625 1/20 0.43
▸ PNP P00491 1/20 0.42
▸ CFTR P13569 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ EP300 Q09472 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ KAT2A Q92830 1/20 0.37
▸ KAT2B Q92831 1/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ MPO P05164 1/20 0.36

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
SCHEMBL1533545 0.86 MPO (0.48) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL4966454 0.85 PNP (0.45) PNPTLR7PDE4APDE4BPDE4C
SCHEMBL1262618 0.85 PNP (0.45) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL3308556 0.85 PNP (0.45) PNPTLR7P2RX3PDE4APDE4B
SCHEMBL3310264 0.84 PNP (0.44) PNPTLR7PDE4APDE4BPDE4C
SCHEMBL3021036 0.84 PNP (0.44) PNPTLR7PDE4APDE4BPDE4C
SCHEMBL3303803 0.84 PNP (0.44) PNPTLR7PDE4APDE4BPDE4C
SCHEMBL18247 0.84 PNP (0.59) PNPPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL17186467 0.83 PNP (0.43) PNPTLR7PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL17186488 0.83 PNP (0.43) PNPTLR7PDE4APDE4BPDE4C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7267956-A — — None — — JP disclosed
JP-H07267956-A BENZYLGUANINE DERIVATIVE TOAGOSEI CO LTD 1995-10-17 — — JP disclosed
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