SCHEMBL7909724

SCHEMBL7909724

N#Cc1cccc(F)c1-n1nc2c3ccccc3n(CC3C=CC(n4cccn4)=CC3)nc-2c1=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 2/20 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
SCHEMBL7909533 0.79 CHRM1 (0.31)
SCHEMBL14875445 0.79 CHRM1 (0.45) BUB1
SCHEMBL11895176 0.69 CHRM1 (0.62)
SCHEMBL3805945 0.68 CHRM1 (0.47) BUB1
SCHEMBL7900360 0.63 CHRM1 (0.51) BUB1
SCHEMBL5539875 0.63 GRM5 (0.40)
SCHEMBL11895473 0.60 CHRM1 (0.64)
SCHEMBL11895446 0.59 CHRM1 (0.70)
SCHEMBL11895298 0.58 CHRM1 (0.53)
SCHEMBL11955187 0.58 CHRM1 (0.65)

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-2010096338-A1 PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-08-26 WO disclosed