SCHEMBL6824629

SCHEMBL6824629

Cc1nc(C(C)C)c(-c2ccnc(Nc3ccc(S(=O)(=O)NC4CCC4)cc3)n2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
CDK2 P24941 9/20 0.40
CDK4 P11802 3/20 0.40
CCNT1 O60563 3/20 0.40
CDK1 P06493 3/20 0.40
CCNB1 P14635 3/20 0.40
CCNA2 P20248 3/20 0.40
CDK7 P50613 3/20 0.40
CDK9 P50750 3/20 0.40
CCNH P51946 3/20 0.40
CCNA1 P78396 3/20 0.40
GSK3B P49841 2/20 0.40
CCNE1 P24864 2/20 0.40
CSNK2A2 P19784 1/20 0.40
CCND1 P24385 1/20 0.40
CCND3 P30281 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 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
SCHEMBL6600257 0.85 SYK (0.43) SYKCDK2CDK4CCNT1CDK1
SCHEMBL6621418 0.83 CDK2 (0.56) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL6821644 0.81 CDK2 (0.41) SYKCDK2CDK4CCNT1CDK1
SCHEMBL6603610 0.80 SYK (0.44) SYKCDK2CDK4CCNT1CDK1
SCHEMBL6623217 0.79 CDK2 (0.65) SYKCDK2CDK4CCNT1CDK1
SCHEMBL6105654 0.76 CDK2 (0.71) CDK2CDK4CCNT1CDK1CCNB1
SCHEMBL5108359 0.76 CDK2 (0.52) SYKCDK2CDK4CCNT1CDK1
SCHEMBL6443063 0.76 CDK2 (0.58) SYKCDK2CDK4CDK1IKBKB
SCHEMBL6607780 0.76 CDK2 (0.41) SYKCDK2CDK4CCNT1CDK1
SCHEMBL6387033 0.75 CDK2 (0.50) SYKCDK2CDK4CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002020512-A9 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-05-06 WO claimed
EP-1351958-A1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION AstraZeneca AB (SE) 2003-10-15 EP claimed
WO-2002020512-A1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2002-03-14 WO claimed