SCHEMBL29640707

SCHEMBL29640707

CC(C)Oc1nc(N)ncc1I

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.45
▸ CCNB1 P14635 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ NUDT1 P36639 3/20 0.41
▸ P2RX3 P56373 4/20 0.38
▸ P2RX2 Q9UBL9 4/20 0.38
▸ DHFR P00374 1/20 0.38
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ MAP3K12 Q12852 1/20 0.33

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
SCHEMBL22234902 1.00 CDK1 (0.45) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL22835096 0.83 CCNA2 (0.50) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL22835095 0.83 CCNA2 (0.50) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL22842992 0.79 NUDT1 (0.54) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL1180511 0.79 NUDT1 (0.44) CCNA2CDK2CCNA1NUDT1P2RX3
SCHEMBL15585186 0.78 KDM4E (0.33) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL29598152 0.78 CDK1 (0.45) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL22234790 0.78 CDK1 (0.45) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL22234796 0.76 NUDT1 (0.46) NUDT1DHFR
SCHEMBL22835056 0.73 P2RX3 (0.42) CDK1CCNB1CCNA2CDK2CCNA1

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
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