SCHEMBL19984116

SCHEMBL19984116

CNCc1c[nH]c2cc(Nc3ccc(C#N)cc3C(F)(F)F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.44
NR3C1 P04150 2/20 0.41
NR3C2 P08235 2/20 0.41
PGR P06401 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
CNR2 P34972 2/20 0.36
BCHE P06276 1/20 0.36
AR P10275 2/20 0.35
SLC6A4 P31645 2/20 0.35
ACP1 P24666 1/20 0.34
CCNK O75909 3/20 0.34
CDK12 Q9NYV4 3/20 0.34
CCNT1 O60563 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK9 P50750 2/20 0.34
CDK7 P50613 2/20 0.34
CCNH P51946 2/20 0.34
MNAT1 P51948 1/20 0.34

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
SCHEMBL19983711 0.86 CDK2 (0.40) CDK2NR3C1NR3C2PGRBCHE
SCHEMBL19983989 0.86 GPR84 (0.46) NR3C1AR
SCHEMBL19984128 0.86 TBXAS1 (0.42) CDK2ARSLC6A4
SCHEMBL19983905 0.85 GPR84 (0.45) CNR2ARSLC6A4
SCHEMBL19984167 0.85 NR3C1 (0.42) CDK2NR3C1NR3C2PGRBCHE
SCHEMBL19983952 0.84 ABCC9 (0.40) CDK2NR3C1NR3C2PGRBCHE
SCHEMBL19983758 0.80 GPR84 (0.37) ARSLC6A4
SCHEMBL19983847 0.78 TBXAS1 (0.42) CDK2NR3C1NR3C2SLC6A4
SCHEMBL19983945 0.77 TBXAS1 (0.41) CDK2SLC6A4
SCHEMBL19983854 0.77 APP (0.39) CDK2NR3C1NR3C2PGRAR

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
EP-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed