SCHEMBL1900995

SCHEMBL1900995

CCCn1nc2c(N)nc3c(C)cccc3c2c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.43
TLR8 Q9NR97 2/20 0.41
ESR1 P03372 1/20 0.39
PDPK1 O15530 2/20 0.39
ATM Q13315 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
PSMD14 O00487 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
RAD52 P43351 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1898044 0.86 TLR8 (0.42) TLR8ESR1ATMMEN1KMT2A
SCHEMBL1896699 0.84 CASR (0.37) TLR8ESR1KDM4EPOLBMAPT
SCHEMBL1901666 0.83 ADORA2A (0.41) TLR8TLR7ADORA2AADORA3ADORA1
SCHEMBL1900994 0.82 TLR8 (0.39) TLR8ESR1ATMMEN1KMT2A
SCHEMBL1898389 0.81 TLR7 (0.52) TLR8MEN1KMT2APOLBMAPT
SCHEMBL1897133 0.74 SLC6A4 (0.43) TLR7
Hydrochloric Acid SCHEMBL1897933 0.73 SLC6A4 (0.45) TLR8TLR7
SCHEMBL1898043 0.73 ELANE (0.43) TLR8MEN1KMT2APOLBMAPT
SCHEMBL1778208 0.72 TLR7 (0.51) TLR8MEN1KMT2AMAPTTLR7
SCHEMBL1894211 0.71 TLR7 (0.41) HSP90AB1TLR8ESR1MEN1KMT2A

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-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed