SCHEMBL23409153

SCHEMBL23409153

Cc1nc2cccc(Cl)c2n1[C@H]1CCCN(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.47
JAK3 P52333 5/20 0.47
JAK2 O60674 3/20 0.47
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD11B1 P28845 2/20 0.43
PRMT5 O14744 1/20 0.40
CYP2D6 P10635 1/20 0.40
CCR5 P51681 1/20 0.40

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
SCHEMBL24458124 1.00 JAK1 (0.47) JAK1JAK3JAK2CCNT1CDK9
SCHEMBL12791679 0.88 CDK9 (0.57) JAK1JAK2CCNT1CDK9GAA
SCHEMBL24458045 0.88 PRMT5 (0.51) JAK1JAK3JAK2GAAHSD11B1
SCHEMBL25068977 0.88 PRMT5 (0.51) JAK1JAK3JAK2GAAHSD11B1
SCHEMBL23409085 0.86 JAK1 (0.51) JAK1JAK3JAK2CCNT1CDK9
SCHEMBL27020009 0.85 CCNT1 (0.48) JAK1JAK3JAK2CCNT1CDK9
SCHEMBL25068871 0.85 CCNT1 (0.48) JAK1JAK3JAK2CCNT1CDK9
SCHEMBL27019894 0.76 HSD11B1 (0.42) JAK1JAK3JAK2CCNT1CDK9
SCHEMBL24457962 0.74 PRMT5 (0.50) JAK1JAK3JAK2HSD11B1PRMT5
SCHEMBL23408954 0.74 PRMT5 (0.50) JAK1JAK3JAK2HSD11B1PRMT5

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-2021099842-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO INC. (CA) 2021-05-27 WO disclosed