SCHEMBL6274665

SCHEMBL6274665

CCCc1cccc(-n2ncc3c(NN)cncc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.36
KCNK2 O95069 1/20 0.34
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR3C1 P04150 2/20 0.33
DHFR P00374 2/20 0.33
SMO Q99835 2/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 1/20 0.32
CYP11B1 P15538 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
SCHEMBL6225827 0.82 NPBWR1 (0.39) CCR1KCNK2LMNANPC1RAB9A
SCHEMBL6253146 0.79 GSK3B (0.40) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL6278086 0.78 GSK3B (0.49) LMNAKDM4ENPC1RAB9AMEN1
SCHEMBL6390136 0.78 ALDH1A1 (0.48) LMNAKDM4ENPC1POLBRAB9A
SCHEMBL8344682 0.74 MAPT (0.64) KCNK2LMNAKDM4ENPC1POLB
SCHEMBL6277293 0.73 XDH (0.43) LMNAKDM4ENPC1RAB9AALDH1A1
SCHEMBL6237563 0.67 GSK3B (0.43)
SCHEMBL8344605 0.67 LMNA (0.52) KCNK2LMNAKDM4ENPC1RAB9A
SCHEMBL6204920 0.66 KMT2A (0.66) LMNAKDM4EMEN1ALDH1A1HPGD
SCHEMBL12844296 0.65 MPO (0.49) LMNAKDM4ERAB9AALDH1A1HPGD

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