SCHEMBL7149530

SCHEMBL7149530

CCNc1nc(Cl)ncc1C#N.CCNc1nc(Nc2ccc(S(=O)(=O)F)cc2)ncc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.46
LRRK2 Q5S007 3/20 0.43
KDR P35968 4/20 0.42
CDK1 P06493 3/20 0.42
SYK P43405 2/20 0.42
CA2 P00918 1/20 0.41
CCNT1 O60563 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK9 P50750 1/20 0.41
CCNA1 P78396 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PTK2 Q05397 3/20 0.41
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
LCK P06239 1/20 0.40

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
SCHEMBL4773980 0.94 AURKA (0.52) AURKALRRK2KDRCDK1SYK
SCHEMBL4763724 0.84 CA2 (0.47) AURKAKDRCDK1SYKCA2
SCHEMBL4774317 0.84 AURKA (0.53) AURKAKDRCDK1SYKCA2
SCHEMBL4768983 0.84 AURKA (0.53) AURKALRRK2KDRCDK1SYK
SCHEMBL4766361 0.82 AURKA (0.49) AURKAKDRCDK1SYKCA2
SCHEMBL4763589 0.82 AURKA (0.51) AURKALRRK2KDRCDK1SYK
SCHEMBL4772099 0.78 CA2 (0.52) AURKALRRK2KDRCDK1SYK
SCHEMBL4772198 0.78 AURKA (0.46) AURKALRRK2KDRCDK1SYK
SCHEMBL4768143 0.78 SYK (0.53) AURKAKDRCDK1SYKCA2
SCHEMBL4766554 0.78 AURKA (0.46) AURKALRRK2KDRCDK1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303496-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2003-04-23 EP disclosed
WO-2002004429-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2002-01-17 WO disclosed