SCHEMBL7943075

SCHEMBL7943075

CCCC(CO)c1ncc2[nH]cnc2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLA1 P09884 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
CDK2 P24941 2/20 0.35
PAK1 Q13153 1/20 0.33
CCNT1 O60563 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CDK7 P50613 1/20 0.30
CDK9 P50750 1/20 0.30
CCNH P51946 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAP3K7 O43318 1/20 0.30
MAP3K6 O95382 1/20 0.30
MAP3K5 Q99683 1/20 0.30

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
SCHEMBL7943071 0.77 KDM4E (0.30) KDM4ESMN1; SMN2
SCHEMBL10550622 0.74 ALDH1A1 (0.39) KDM4EALDH1A1POLA1RXFP1CDK2
SCHEMBL31058752 0.73 KDM4E (0.50) KDM4EALDH1A1POLA1RXFP1CDK2
SCHEMBL3578267 0.73 ALDH1A1 (0.53) KDM4EALDH1A1POLA1RXFP1CDK2
SCHEMBL16178779 0.70 ALDH1A1 (0.46) KDM4EALDH1A1POLA1RXFP1CDK2
2-Aminopurine SCHEMBL4342854 0.69 ALDH1A1 (0.79) KDM4EALDH1A1POLA1RXFP1CDK2
SCHEMBL5033486 0.68 CDK2 (0.49) KDM4EALDH1A1RXFP1CDK2PAK1
SCHEMBL11077322 0.67 ALDH1A1 (0.50) KDM4EALDH1A1POLA1RXFP1CDK2
SCHEMBL375956 0.67 ALDH1A1 (0.59) KDM4EALDH1A1POLA1RXFP1CDK2
SCHEMBL5138814 0.66 ALDH1A1 (0.53) KDM4EALDH1A1POLA1RXFP1CDK2

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-1131323-A1 SYNTHESIS OF ACYCLIC NUCLEOSIDE DERIVATIVES Medivir Aktiebolag (SE) 2001-09-12 EP disclosed
WO-2000008025-A1 SYNTHESIS OF ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2000-02-17 WO disclosed