SCHEMBL29640644

SCHEMBL29640644

CC[C@@H](C)Oc1nc(N)ncc1C(=O)OC.CC[C@@H](C)Oc1nc(N)ncc1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CCNA1 P78396 2/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
HSP90AA1 P07900 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CHEK1 O14757 1/20 0.36
KCNH2 Q12809 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK8 P45983 1/20 0.35

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
SCHEMBL30601136 1.00 CCNA2 (0.44) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL24584847 1.00 CCNA2 (0.44) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL30601089 1.00 CCNA2 (0.44) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL24585120 1.00 CCNA2 (0.44) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL30601115 1.00 CCNA2 (0.44) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL24584846 1.00 CCNA2 (0.44) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL29085378 0.86 CCNA2 (0.46) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL29085379 0.86 CCNA2 (0.46) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL24585103 0.86 LMNA (0.46) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL30601127 0.86 LMNA (0.46) CCNA2CDK2CCNA1CDK1CCNB1

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-2022140425-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS IRAK4 INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2022-06-30 WO disclosed