SCHEMBL31503294

SCHEMBL31503294

CC(C)(C)C(=O)NNC(=O)[C@@H]1CC[C@H](C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.37
ACE P12821 1/20 0.37
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
GAA P10253 2/20 0.32
GLA P06280 1/20 0.31
KCNK2 O95069 1/20 0.31
KCNK4 Q9NYG8 1/20 0.31
GRM2 Q14416 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL31503626 1.00 BTK (0.37) BTKACEPOLBHTTLMNA
SCHEMBL31503367 0.83 SMN1; SMN2 (0.37) POLBHTTSMN1; SMN2HSD17B10HPGD
SCHEMBL1908638 0.78 POLB (0.42) POLBHTTSMN1; SMN2HSD17B10HPGD
SCHEMBL12487514 0.76 HTT (0.40) POLBHTTLMNASMN1; SMN2HSD17B10
SCHEMBL12487515 0.76 HTT (0.40) POLBHTTLMNASMN1; SMN2HSD17B10
SCHEMBL25547180 0.74 BTK (0.50) BTKACELMNAALDH1A1AKR1C3
SCHEMBL16886300 0.72 ACE (0.44) BTKACEPOLBLMNAAKR1C3
SCHEMBL31503423 0.72 SMN1; SMN2 (0.39) BTKACELMNASMN1; SMN2HSD17B10
SCHEMBL31503502 0.72 SMN1; SMN2 (0.39) BTKACELMNASMN1; SMN2HSD17B10
SCHEMBL517229 0.72 POLB (0.35) POLBHTTSMN1; SMN2HSD17B10HPGD

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-2025062334-A1 4-((5-(3-(4-(PYRIDIN-2-YL)CYCLOPENTYL)-1 H-PYRAZOL-3-YL)AMINO)-BENZENESULFONAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER BEIGENE SWITZERLAND GMBH (CH) 2025-03-27 WO disclosed