SCHEMBL7201278

SCHEMBL7201278

COc1nc(Nc2ccccc2)nc2c1ncn2CCC(CO)CO

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.44
PDGFRA P16234 1/20 0.44
CCNE1 P24864 1/20 0.44
TK1 P04183 1/20 0.43
CDK1 P06493 1/20 0.41
ABL1 P00519 1/20 0.40
BTK Q06187 1/20 0.40
CCNA2 P20248 1/20 0.39
CCNA1 P78396 1/20 0.39
CACNA1B Q00975 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL7358070 0.88 PDGFRA (0.55) CDK2PDGFRACCNE1ABL1BTK
SCHEMBL7363250 0.86 TK1 (0.53) CDK2PDGFRACCNE1TK1CDK1
SCHEMBL7661515 0.83 CCNE1 (0.54) CDK2PDGFRACCNE1TK1CDK1
SCHEMBL7672863 0.81 PDGFRA (0.52) CDK2PDGFRACCNE1TK1TAAR1
SCHEMBL7674156 0.80 HPGD (0.51) CDK2PDGFRACCNE1CDK1
SCHEMBL24450806 0.78 ADORA3 (0.56) CDK2CCNE1CDK1CCNA2CCNA1
SCHEMBL5930393 0.78 HSP90AA1 (0.49) CDK2CCNE1TK1CDK1
SCHEMBL22133770 0.75 CDK1 (0.56) CDK2CCNE1CDK1CCNA2CCNA1
SCHEMBL7358271 0.75 CCNE1 (0.51) CDK2PDGFRACCNE1TK1CDK1
SCHEMBL7668634 0.74 CCNE1 (0.54) CDK2PDGFRACCNE1TK1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579981-B1 Treating herpes virus NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2003-06-17 US disclosed