SCHEMBL6203858

SCHEMBL6203858

CC(C)N(CCO)c1nc(N[C@@H](CO)c2ccccc2)c2[nH]nnc2n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 10/20 0.34
CDK1 P06493 4/20 0.34
CDK5 Q00535 2/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
RPS6KB1 P23443 1/20 0.33
CX3CR1 P49238 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
SCHEMBL6204529 0.83 CCNE2 (0.44) CDK1CDK5
SCHEMBL6201142 0.82 CDK1 (0.46) CDK1CDK5CCNT1CDK9
SCHEMBL3445624 0.77 EGFR (0.39) LMNAHPGDSMN1; SMN2EGFRCCNC
SCHEMBL3445625 0.77 EGFR (0.39) LMNAHPGDSMN1; SMN2EGFRCCNC
SCHEMBL6203326 0.77 CDK2 (0.38) EGFRCDK1CDK5CCNT1CDK9
SCHEMBL3445577 0.76 CDK5 (0.39) LMNAHPGDSMN1; SMN2EGFRCDK1
SCHEMBL3445318 0.76 CDK5 (0.39) LMNAHPGDSMN1; SMN2EGFRCDK1
SCHEMBL6203534 0.76 CCNE2 (0.46) CDK1
SCHEMBL6205187 0.76 HTR2C (0.42) CDK1CDK5
SCHEMBL6203887 0.74 LMNA (0.38) LMNAHPGDSMN1; SMN2EGFRCDK1

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