SCHEMBL28299226

SCHEMBL28299226

CCCCCc1nc(N)c2[nH]cnc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 1/20 0.53
▸ CDK1 P06493 4/20 0.52
▸ CCNB1 P14635 4/20 0.52
▸ CCNA2 P20248 3/20 0.52
▸ CDK2 P24941 3/20 0.52
▸ CCNA1 P78396 3/20 0.52
▸ PDPK1 O15530 1/20 0.51
▸ GDA Q9Y2T3 1/20 0.51
▸ PIN1 Q13526 1/20 0.50
▸ PI4KA P42356 3/20 0.47
▸ PI4K2B Q8TCG2 3/20 0.47
▸ PI4K2A Q9BTU6 3/20 0.47
▸ PI4KB Q9UBF8 3/20 0.47
▸ XDH P47989 7/20 0.45
▸ LMNA P02545 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ PAK1 Q13153 1/20 0.44
▸ ADORA3 P0DMS8 3/20 0.42
▸ ADORA2A P29274 3/20 0.42

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
SCHEMBL30610405 0.98 CDK1 (0.53) POLA1CDK1CCNB1CCNA2CDK2
Hydrochloric Acid SCHEMBL26629016 0.96 CDK1 (0.51) POLA1CDK1CCNB1CCNA2CDK2
SCHEMBL1074970 0.95 POLA1 (0.57) POLA1CDK1CCNB1CCNA2CDK2
SCHEMBL29514836 0.89 PDPK1 (0.56) POLA1CDK1CCNB1CCNA2CDK2
SCHEMBL215054 0.89 PDPK1 (0.56) POLA1CDK1CCNB1CCNA2CDK2
SCHEMBL8207461 0.88 CDK1 (0.56) POLA1CDK1CCNB1CCNA2CDK2
SCHEMBL8252222 0.88 XDH (0.47) POLA1CDK1CCNB1CCNA2CDK2
SCHEMBL11222102 0.85 PDPK1 (0.63) POLA1CDK1CCNB1CCNA2CDK2
SCHEMBL1374742 0.85 PDPK1 (0.51) POLA1CDK1CCNB1CCNA2CDK2
SCHEMBL38912 0.85 PDPK1 (0.51) POLA1CDK1CCNB1CCNA2CDK2

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-109893486-A A kind of plant enzyme shampoo 无锡永如生物美容品有限公司 2019-06-18 — — CN disclosed
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