SCHEMBL29403244

SCHEMBL29403244

NC(=O)c1ccc(Br)cc1Oc1cnc2[nH]ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.45
CDK8 P49336 9/20 0.44
CDK7 P50613 2/20 0.44
CCNT1 O60563 1/20 0.44
CCND1 P24385 1/20 0.44
CCNC P24863 1/20 0.44
CDK9 P50750 1/20 0.44
CCNH P51946 1/20 0.44
MNAT1 P51948 1/20 0.44
CDK6 Q00534 1/20 0.44
BCL2 P10415 4/20 0.41
BCL2L1 Q07817 3/20 0.41
TNIK Q9UKE5 2/20 0.38
MAP4K1 Q92918 1/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
DGAT1 O75907 1/20 0.37
PLK4 O00444 1/20 0.36
DCLK1 O15075 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL19332922 0.89 CDK8 (0.43) RIPK1CDK8CDK7CCNT1CCND1
SCHEMBL29398024 0.87 BCL2 (0.49) CDK8BCL2BCL2L1TNIKKDR
SCHEMBL19341716 0.87 BCL2 (0.49) CDK8BCL2BCL2L1TNIKKDR
SCHEMBL25586384 0.87 RIPK1 (0.46) RIPK1CDK8CDK7CCNT1CCND1
SCHEMBL1701635 0.84 CTNNB1 (0.51) RIPK1CDK8CDK7CCNT1CCND1
SCHEMBL16030568 0.84 BCL2 (0.57) CDK8CDK7BCL2BCL2L1TNIK
SCHEMBL24165693 0.80 BCL2 (0.48) CDK8BCL2BCL2L1TNIKKDR
SCHEMBL19708396 0.79 BCL2 (0.45) RIPK1BCL2BCL2L1SYKMAPK8
SCHEMBL22562914 0.79 CDK8 (0.41) RIPK1CDK8KDR
SCHEMBL26938764 0.79 CDK8 (0.40) RIPK1CDK8CDK7CCNT1CCND1

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
CN-114073707-A Compositions and methods for treating systemic lupus erythematosus 苏州亚盛药业有限公司 2022-02-22 CN disclosed