SCHEMBL6204920

SCHEMBL6204920

CCCc1cccc(-n2ncc(C#N)c2N)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 3/20 0.47
XDH P47989 2/20 0.46
GLA P06280 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
HTT P42858 2/20 0.38
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6205563 0.80 KMT2A (1.00) KMT2AKDM4EMEN1MAPTXDH
SCHEMBL6205834 0.80 KMT2A (0.66) KMT2AKDM4EMEN1MAPTXDH
SCHEMBL12795372 0.79 KMT2A (0.74) KMT2AKDM4EMEN1MAPTXDH
SCHEMBL10618063 0.78 KMT2A (0.44) KMT2AKDM4EMEN1MAPTXDH
SCHEMBL30120645 0.77 KMT2A (0.71) KMT2AKDM4EMEN1MAPTXDH
SCHEMBL544885 0.77 KMT2A (0.71) KMT2AKDM4EMEN1MAPTXDH
SCHEMBL1143393 0.77 KMT2A (0.70) KMT2AKDM4EMEN1MAPTXDH
SCHEMBL3804511 0.77 KMT2A (0.70) KMT2AKDM4EMEN1MAPTXDH
SCHEMBL1457049 0.77 KMT2A (0.70) KMT2AKDM4EMEN1MAPTXDH
SCHEMBL60939 0.76 KMT2A (0.71) KMT2AKDM4EMEN1MAPTXDH

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-1551841-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SmithKline Beecham Corporation (US) 2005-07-13 EP disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed