SCHEMBL5338042

SCHEMBL5338042

ClCc1nc2cnc3ccccc3c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GPR3 P46089 1/20 0.42
KMT2A Q03164 2/20 0.39
TOP2A P11388 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TNKS2 Q9H2K2 1/20 0.37
RAB9A P51151 1/20 0.37
PDE10A Q9Y233 4/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL10123198 0.86 POLB (0.45) KDM4EGPR3PDE10A
SCHEMBL5341134 0.84 LOXL2 (0.42) KDM4EGPR3KMT2ATOP2AHDAC6
SCHEMBL19475394 0.79 POLB (0.44) KDM4EGPR3PDE10A
SCHEMBL15722032 0.79 PARP1 (0.59) KDM4ETNKS2PDE4APDE4BPDE4C
SCHEMBL29769683 0.79 PARP1 (0.59) KDM4ETNKS2PDE4APDE4BPDE4C
SCHEMBL24415021 0.78 PDE10A (0.40) KDM4EGPR3TNKS2RAB9APDE10A
SCHEMBL29977924 0.78 RAB9A (0.42) KDM4EGPR3TNKS2RAB9APDE4A
SCHEMBL1424370 0.78 PARP1 (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL14465824 0.78 RAB9A (0.42) KDM4EGPR3TNKS2RAB9APDE4A
SCHEMBL7622606 0.77 KIF11 (0.41) KDM4EKMT2ATNKS2RAB9A

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
WO-2007079086-A1 PYRAZOLOALKYL SUBSTITUTED IMIDAZO RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-07-12 WO disclosed