SCHEMBL5380216

SCHEMBL5380216

Cc1ncc(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)n1C(C)C.Cc1ncc(-c2ccncn2)n1C(C)C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.72
KCNH2 Q12809 7/20 0.67
CDK1 P06493 4/20 0.58
CCNB1 P14635 2/20 0.58
CCNA2 P20248 2/20 0.58
CCNA1 P78396 2/20 0.58
CCNE1 P24864 2/20 0.57
MAPK8 P45983 2/20 0.57
MAPK9 P45984 2/20 0.57
CSNK1A1 P48729 2/20 0.57
CDK7 P50613 2/20 0.57
CDK9 P50750 2/20 0.57
CDK5 Q00535 2/20 0.57
CCNT1 O60563 1/20 0.57
CDK4 P11802 1/20 0.57
CSNK2A2 P19784 1/20 0.57
CCND1 P24385 1/20 0.57
CCND3 P30281 1/20 0.57
CSNK1D P48730 1/20 0.57
GSK3A P49840 1/20 0.57

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
SCHEMBL3548674 0.94 CDK2 (0.80) CDK2KCNH2CDK1CCNB1CCNA2
SCHEMBL3551055 0.84 CDK2 (1.00) CDK2KCNH2CDK1CCNB1CCNA2
SCHEMBL4254089 0.83 CDK4 (0.68) CDK2KCNH2CDK1CCNB1CCNA2
Hydrochloric Acid SCHEMBL3549634 0.80 CDK2 (0.59) CDK2KCNH2CDK1CCNB1CCNA2
SCHEMBL3555947 0.80 KCNH2 (1.00) CDK2KCNH2CDK1CCNB1CCNA2
SCHEMBL3549598 0.80 CDK2 (0.83) CDK2KCNH2CDK1CCNB1CCNA2
SCHEMBL3548656 0.78 CDK2 (1.00) CDK2KCNH2CDK1CCNB1CCNA2
SCHEMBL3556925 0.78 CDK2 (0.64) CDK2KCNH2CDK1CCNB1CCNA2
SCHEMBL3551129 0.77 CDK2 (0.85) CDK2KCNH2CDK1CCNB1CCNA2
SCHEMBL3543951 0.77 KCNH2 (0.81) CDK2KCNH2CDK1CCNB1CCNA2

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-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO disclosed