SCHEMBL29082188

SCHEMBL29082188

COc1nc(N)ncc1C(O)C#N

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.39
NUDT1 P36639 4/20 0.38
P2RX3 P56373 7/20 0.38
P2RX2 Q9UBL9 7/20 0.38
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 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
SCHEMBL26977882 0.76 ADORA2A (0.47) DHFRNUDT1P2RX3P2RX2CCNA2
SCHEMBL2611023 0.75 P2RX3 (0.51) P2RX3P2RX2
SCHEMBL29082613 0.71 NUDT1 (0.41) DHFRNUDT1P2RX3P2RX2
SCHEMBL7891452 0.69 NUDT1 (0.44) NUDT1CCNA2CDK2CCNA1MAPT
SCHEMBL29082597 0.69 P2RX3 (0.36) DHFRNUDT1P2RX3P2RX2
SCHEMBL30559753 0.68 NUDT1 (0.44) DHFRNUDT1P2RX3P2RX2
SCHEMBL26978100 0.68 NUDT1 (0.44) DHFRNUDT1P2RX3P2RX2
SCHEMBL31631823 0.67 NUDT1 (0.59) DHFRNUDT1P2RX3P2RX2
SCHEMBL4055122 0.67 NUDT1 (0.59) DHFRNUDT1P2RX3P2RX2
SCHEMBL2897696 0.67 NUDT1 (0.58) DHFRNUDT1P2RX3P2RX2

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-116829550-A Pyrimidine-2-ylsulfonamide derivatives 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed