SCHEMBL25830852

SCHEMBL25830852

O=C1NCNc2[nH]c3cc(Br)ccc3c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 5/20 0.43
CDK5R1 Q15078 5/20 0.43
CCNB2 O95067 4/20 0.43
CDK1 P06493 4/20 0.43
CCNB1 P14635 4/20 0.43
CCNB3 Q8WWL7 4/20 0.43
CDK4 P11802 4/20 0.43
CCND1 P24385 4/20 0.43
CAMK2B Q13554 2/20 0.43
CAMK2G Q13555 2/20 0.43
CAMK2D Q13557 2/20 0.43
CAMK2A Q9UQM7 2/20 0.43
CCNE2 O96020 2/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
CCNT1 O60563 1/20 0.43
EIF2AK2 P19525 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK9 P50750 1/20 0.43
METAP2 P50579 1/20 0.41

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
SCHEMBL1004259 0.72 KDR (0.55) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL17867262 0.68 GSK3B (0.46) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL22128354 0.68 HSD17B10 (0.44) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL29397381 0.67 METAP2 (0.52) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL28272924 0.67 METAP2 (0.52) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL181890 0.67 METAP2 (0.52) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL1004766 0.66 MAPT (0.50) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL22122397 0.65 METAP2 (0.40) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL940853 0.65 KDM4E (0.65) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL22566990 0.65 CDK4 (0.86) CDK5CDK5R1CCNB2CDK1CCNB1

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-2023125907-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 WO disclosed