SCHEMBL7145673

SCHEMBL7145673

COc1c(C(N)=O)cc(-c2cccc(C)c2)n2n[c]nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.48
IKBKB O14920 1/20 0.38
CDC7 O00311 1/20 0.37
POLB P06746 2/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 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
SCHEMBL7146568 0.89 IKBKB (0.38) TLR8IKBKBTUBB4ATUBBTUBA3C
SCHEMBL7043840 0.89 PARP1 (0.43) IKBKBCDC7HPGDRIPK2SLC9A1
SCHEMBL7041861 0.89 IKBKB (0.46) TLR8IKBKBCDC7HPGD
SCHEMBL6876511 0.88 FYN (0.37) TLR8IKBKBCDC7TUBB4ATUBB
SCHEMBL7144535 0.88 NTRK1 (0.40) TLR8IKBKBCDC7TUBB4ATUBB
SCHEMBL7146854 0.87 PDE4D (0.43) IKBKBFYN
SCHEMBL7150015 0.85 KDM4E (0.49) SLC9A1FYNPARP1
SCHEMBL7144539 0.85 FYN (0.46) DHODHFYNPARP1
SCHEMBL7041042 0.85 HPGD (0.39) POLBTSHRHPGDHSD17B10FYN
SCHEMBL7043074 0.83 NTRK1 (0.45) IKBKBCDC7HPGDPARP1

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-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed