SCHEMBL28508294

SCHEMBL28508294

CC(=O)Nc1ccc(-c2cnn(C)c2)cn1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.59
CDK8 P49336 2/20 0.59
PIK3CG P48736 1/20 0.54
CREBBP Q92793 1/20 0.54
WNT1 P04628 2/20 0.52
GSK3B P49841 2/20 0.52
DYRK1A Q13627 2/20 0.52
ABL1 P00519 1/20 0.52
GPR55 Q9Y2T6 1/20 0.51
EP300 Q09472 10/20 0.51
PTK2 Q05397 1/20 0.50
MAP3K5 Q99683 1/20 0.50

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
SCHEMBL30238347 0.87 GSK3B (0.51) WNT1GSK3BDYRK1AABL1GPR55
SCHEMBL30238335 0.86 MAP4K1 (0.55) WNT1GSK3BDYRK1AABL1GPR55
SCHEMBL24932210 0.82 GSK3B (0.56) WNT1GSK3BDYRK1AABL1
SCHEMBL30006478 0.81 GSK3B (0.78) WNT1GSK3BDYRK1AABL1
SCHEMBL29324438 0.81 GSK3B (0.60) WNT1GSK3BDYRK1AEP300
SCHEMBL21255068 0.80 GPR55 (0.57) CREBBPWNT1GSK3BDYRK1AABL1
SCHEMBL30238470 0.79 MAPK1 (0.47) CCNCCDK8PIK3CGWNT1GSK3B
SCHEMBL21285856 0.79 WNT1 (0.73) CREBBPWNT1GSK3BDYRK1AEP300
SCHEMBL29640907 0.79 WNT1 (0.73) CREBBPWNT1GSK3BDYRK1AEP300
SCHEMBL21426361 0.79 AURKB (0.74) CREBBPWNT1GSK3BDYRK1AEP300

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112218857-B P300/CBP HAT inhibitors and methods of use thereof 星座制药公司 2023-11-21 CN disclosed
CN-114450005-A Compounds for the treatment of neurological disorders 星座制药公司 2022-05-06 CN disclosed
CN-112218857-A P300/CBP HAT inhibitors and methods of use thereof 星座制药公司 2021-01-12 CN disclosed