SCHEMBL6205834

SCHEMBL6205834

CCOc1cccc(-n2ncc(C#N)c2N)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
GLA P06280 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
XDH P47989 2/20 0.46
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTT P42858 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
NR3C1 P04150 1/20 0.41
CYP11B1 P15538 1/20 0.40

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
SCHEMBL30120645 0.85 KMT2A (0.71) KMT2AGLARXFP1KDM4EMEN1
SCHEMBL544885 0.85 KMT2A (0.71) KMT2AGLARXFP1KDM4EMEN1
SCHEMBL6205563 0.80 KMT2A (1.00) KMT2AGLARXFP1KDM4EMEN1
SCHEMBL8344043 0.80 KMT2A (0.62) KMT2AGLARXFP1KDM4EMEN1
SCHEMBL6204920 0.80 KMT2A (0.66) KMT2AGLARXFP1KDM4EMEN1
SCHEMBL12795372 0.79 KMT2A (0.74) KMT2AGLARXFP1KDM4EMEN1
SCHEMBL8039710 0.79 KMT2A (0.43) KMT2AGLARXFP1KDM4EMEN1
SCHEMBL8046909 0.79 KMT2A (0.61) KMT2AKDM4EXDHTP53HTT
SCHEMBL3804511 0.77 KMT2A (0.70) KMT2AGLARXFP1KDM4EMEN1
SCHEMBL1143393 0.77 KMT2A (0.70) KMT2AGLARXFP1KDM4EMEN1

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