SCHEMBL25517566

SCHEMBL25517566

CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](c2nnc3ccccn23)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
BTK Q06187 1/20 0.46
KIT P10721 1/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 2/20 0.40
DRD2 P14416 2/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK13 O15264 2/20 0.39
EPHX2 P34913 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL25533067 0.86 BTK (0.44) KMT2AL3MBTL1BTKKITKDM1A
SCHEMBL25523832 0.85 MAPK13 (0.43) KMT2AL3MBTL1BTKKITKDM1A
SCHEMBL25529347 0.85 MAPK13 (0.43) KMT2AL3MBTL1BTKKITKDM1A
SCHEMBL25516916 0.84 MAPK13 (0.42) KMT2AL3MBTL1BTKMAPK13
SCHEMBL25524768 0.84 MAPK13 (0.44) KMT2AL3MBTL1BTKKITKDM1A
SCHEMBL25417460 0.84 MAPK13 (0.42) KMT2AL3MBTL1BTKMAPK13
SCHEMBL25521406 0.84 MAPK13 (0.42) KMT2AL3MBTL1BTKKITKDM1A
SCHEMBL25523570 0.84 BTK (0.44) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL25418148 0.84 KIT (0.49) KMT2AL3MBTL1BTKKITKDM1A
SCHEMBL25521509 0.84 KIT (0.49) KMT2AL3MBTL1BTKKITKDM1A

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-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed