SCHEMBL17754080

SCHEMBL17754080

CN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1c[nH]c(=O)c2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.45
▸ JAK1 P23458 3/20 0.45
▸ TYK2 P29597 3/20 0.45
▸ JAK3 P52333 3/20 0.45
▸ ACHE P22303 1/20 0.45
▸ HTR4 Q13639 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL17753815 0.85 BRD4 (0.54) JAK2JAK1TYK2JAK3
SCHEMBL17753568 0.83 BRD4 (0.40) JAK2JAK1TYK2JAK3ACHE
SCHEMBL28382203 0.82 FASN (0.40) ACHEHTR4SIGMAR1
SCHEMBL17753984 0.79 BRD4 (0.55) ACHEHTR4SIGMAR1
SCHEMBL17749037 0.78 LIMK2 (0.49) JAK2JAK1TYK2JAK3
SCHEMBL17753836 0.78 BRD4 (0.53) ACHEHTR4SIGMAR1
SCHEMBL17753987 0.77 TAF1 (0.56) ACHEHTR4SIGMAR1
SCHEMBL17753823 0.77 BRD4 (0.50) JAK2JAK1TYK2JAK3ACHE
SCHEMBL17753814 0.74 BRD4 (0.52) ACHEHTR4SIGMAR1
SCHEMBL19658385 0.74 ACHE (0.60) ACHE

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-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 — — WO disclosed
Send feedback