SCHEMBL7766478

SCHEMBL7766478

Nc1nc(O)c(N=O)c(O)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.42
CCNA2 P20248 4/20 0.42
CCNA1 P78396 4/20 0.42
CDK1 P06493 4/20 0.35
CDK4 P11802 1/20 0.35
CYP1A2 P05177 1/20 0.34
CCNB1 P14635 3/20 0.33
MGMT P16455 3/20 0.33
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
CCNB2 O95067 1/20 0.32
MTOR P42345 1/20 0.32
ATR Q13535 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32

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
SCHEMBL29473573 0.88 CDK2 (0.52) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL4160357 0.88 CDK2 (0.52) CDK2CCNA2CCNA1CDK1CDK4
Nitrous Acid SCHEMBL29168822 0.84 CDK2 (0.48) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL13802550 0.84 CDK2 (0.40) CDK2CCNA2CCNA1CDK1CDK4
Nitrous Acid SCHEMBL28603506 0.81 CDK2 (0.46) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL11073630 0.78 HSP90AA1 (0.31)
SCHEMBL7767421 0.74
SCHEMBL8864824 0.74 ALDH1A1 (0.33)
SCHEMBL12820953 0.73 POLB (0.33) CDK2CCNA2CCNA1CYP1A2KMT2A
SCHEMBL2745214 0.73 CDK2 (0.41) CDK2CCNA2CCNA1CDK1CDK4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001089587-A2 AGENTS FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 WO claimed
CN-118852029-B Method for preparing 2-amino-4, 6-dichloro-5-carboxamido pyrimidine 苏州开元民生科技股份有限公司 2025-02-07 CN disclosed
CN-118852029-B Method for preparing 2-amino-4, 6-dichloro-5-carboxamido pyrimidine 苏州开元民生科技股份有限公司 2025-02-07 CN disclosed
CN-118852029-A Method for preparing 2-amino-4, 6-dichloro-5-carboxamido pyrimidine 苏州开元民生科技股份有限公司 2024-10-29 CN disclosed
CN-118852029-A Method for preparing 2-amino-4, 6-dichloro-5-carboxamido pyrimidine 苏州开元民生科技股份有限公司 2024-10-29 CN disclosed