SCHEMBL29085378

SCHEMBL29085378

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.46
CDK2 P24941 2/20 0.46
CCNA1 P78396 2/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
MAPK8 P45983 1/20 0.41
GABRP O00591 4/20 0.41
GABRD O14764 4/20 0.41
GABRA1 P14867 4/20 0.41
GABRB1 P18505 4/20 0.41
GABRG2 P18507 4/20 0.41
GABRB3 P28472 4/20 0.41
GABRA5 P31644 4/20 0.41
GABRA3 P34903 4/20 0.41
GABRA2 P47869 4/20 0.41
GABRB2 P47870 4/20 0.41
GABRA4 P48169 4/20 0.41
GABRE P78334 4/20 0.41
GABRA6 Q16445 4/20 0.41
GABRG1 Q8N1C3 4/20 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
SCHEMBL29085379 1.00 CCNA2 (0.46) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL30601115 0.86 CCNA2 (0.44) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL30601136 0.86 CCNA2 (0.44) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL30601089 0.86 CCNA2 (0.44) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL24584847 0.86 CCNA2 (0.44) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL24585120 0.86 CCNA2 (0.44) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL29640644 0.86 CCNA2 (0.44) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL24584846 0.86 CCNA2 (0.44) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL22835056 0.85 P2RX3 (0.42) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL22843030 0.77 NUDT1 (0.53) 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
CN-116867781-A Imidazo [1,2-a ] pyridine derivatives as IRAK4 inhibitors and their use in the treatment of diseases 渤健马萨诸塞州股份有限公司 2023-10-10 CN disclosed