SCHEMBL4299839

SCHEMBL4299839

Cc1cc(COc2cc(C#N)cc(Cl)n2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 1.00
POLB P06746 1/20 0.39
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
IDH1 O75874 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
CDK2 P24941 1/20 0.34
TYK2 P29597 1/20 0.34
CDK9 P50750 1/20 0.34
JAK3 P52333 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
ADAMTS4 O75173 1/20 0.33

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
SCHEMBL4297770 0.88 GRM5 (1.00) GRM5POLBCYP11B1CYP11B2MRGPRX4
SCHEMBL8773165 0.80 GRM5 (0.78) GRM5CYP11B1CYP11B2MRGPRX4
SCHEMBL23504272 0.79 GRM5 (0.65) GRM5JAK2JAK1CDK2TYK2
SCHEMBL31060977 0.79 GRM5 (1.00) GRM5CYP11B1CYP11B2MRGPRX4
SCHEMBL4292772 0.79 GRM5 (1.00) GRM5CYP11B1CYP11B2MRGPRX4
SCHEMBL8963208 0.77 GRM5 (0.74) GRM5CYP11B1CYP11B2MRGPRX4
SCHEMBL8546238 0.75 GRM5 (0.64) GRM5CYP11B1CYP11B2
SCHEMBL4299874 0.74 GRM5 (1.00) GRM5MRGPRX4MAPT
SCHEMBL29738117 0.70 GRM5 (0.57) GRM5
SCHEMBL23286912 0.70 GRM5 (0.57) GRM5

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
US-20130149721-A1 Methods for Inhibiting Amyloid Precursor Protein and Beta-Amyloid Production and Accumulation WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-06-13 US disclosed
US-20090239888-A1 Methods for Inhibiting Amyloid Precursor Protein and Beta-Amyloid Production and Accumulation WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-09-24 US disclosed