SCHEMBL6203399

SCHEMBL6203399

CC(C)c1nc(NCc2c(O)cc(Cl)cc2O)c2nnn(C(C)C)c2n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCNE1 P24864 7/20 0.33
CDK2 P24941 7/20 0.33
CDK5 Q00535 5/20 0.33
CDK5R1 Q15078 5/20 0.33
CDK7 P50613 4/20 0.33
CCNH P51946 4/20 0.33
CCNT1 O60563 5/20 0.32
CDK9 P50750 5/20 0.32
CCNT2 O60583 1/20 0.32
CCNE2 O96020 1/20 0.32
PDE8B O95263 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
SCHEMBL3446389 0.83 CDK2 (0.43) CCNE1CDK2CDK5CDK5R1CDK7
SCHEMBL3445671 0.83 CDK2 (0.40) CCNE1CDK2CDK5CDK5R1CDK7
SCHEMBL3444367 0.81 CDK2 (0.51) KMT2AALDH1A1CCNE1CDK2CDK5
SCHEMBL3444363 0.81 CDK2 (0.51) KMT2AALDH1A1CCNE1CDK2CDK5
SCHEMBL6204366 0.81 CCNE1 (0.37) CCNE1CDK2CDK5CDK5R1CDK7
SCHEMBL3445759 0.80 CDK2 (0.54) ALDH1A1LMNASMN1; SMN2CCNE1CDK2
SCHEMBL3444611 0.78 CCNE1 (0.56) CCNE1CDK2CDK5CDK5R1CDK7
SCHEMBL3445371 0.77 CLK1 (0.48) CCNE1CDK2CDK5CDK5R1CDK7
SCHEMBL6226169 0.76 KMT2A (0.56) KMT2AALDH1A1LMNASMN1; SMN2CDK2
SCHEMBL6203983 0.76 KMT2A (0.42) KMT2AALDH1A1LMNASMN1; SMN2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539760-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2005-06-15 EP claimed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 WO claimed
EP-1539760-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2005-06-15 EP disclosed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 WO disclosed