SCHEMBL14784579

SCHEMBL14784579

CC(=O)N1CCc2c(c(-c3cccc(C(F)(F)F)c3)nn2Cc2cc(Cl)c(Cl)cn2)C1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 19/20 0.74
▸ BRD4 O60885 1/20 0.51
▸ CREBBP Q92793 1/20 0.51

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
SCHEMBL14794917 0.86 KCNK3 (0.73) KCNK3BRD4CREBBP
SCHEMBL14785369 0.85 KCNK3 (0.83) KCNK3BRD4CREBBP
SCHEMBL10805998 0.85 KCNK3 (0.81) KCNK3BRD4CREBBP
SCHEMBL14784572 0.85 KCNK3 (0.66) KCNK3
SCHEMBL14786414 0.85 KCNK3 (1.00) KCNK3BRD4CREBBP
SCHEMBL14784517 0.85 KCNK3 (1.00) KCNK3
SCHEMBL14784540 0.84 KCNK3 (0.69) KCNK3BRD4CREBBP
SCHEMBL14784796 0.83 KCNK3 (0.70) KCNK3BRD4CREBBP
SCHEMBL14785044 0.83 KCNK3 (0.83) KCNK3BRD4CREBBP
SCHEMBL14784582 0.82 KCNK3 (0.78) KCNK3BRD4CREBBP

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
WO-2013037914-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINES, THEIR USE AS MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM SANOFI (FR) 2013-03-21 — — WO claimed
WO-2013037914-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINES, THEIR USE AS MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM SANOFI (FR) 2013-03-21 — — WO disclosed
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