SCHEMBL18949690

SCHEMBL18949690

CC(Oc1ccc2c(c1)[nH]c1nc(C3CN(C)C3)ncc12)c1ncc2c(n1)[nH]c1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.34
GABRG2 P18507 6/20 0.34
GABRB3 P28472 6/20 0.34
GABRA5 P31644 5/20 0.34
GABRA3 P34903 5/20 0.34
GABRA2 P47869 5/20 0.34
GABRA4 P48169 5/20 0.34
GABRA6 Q16445 5/20 0.34
GABRP O00591 4/20 0.34
GABRD O14764 4/20 0.34
GABRB1 P18505 4/20 0.34
GABRB2 P47870 4/20 0.34
GABRE P78334 4/20 0.34
GABRG1 Q8N1C3 4/20 0.34
GABRG3 Q99928 4/20 0.34
GABRQ Q9UN88 4/20 0.34
KIF11 P52732 2/20 0.34
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL16019486 0.83 CA5A (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16019479 0.72 HTR2A (0.49) CA5A
SCHEMBL16019430 0.68 CA5A (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16019487 0.67 CA5A (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16019514 0.66 CA5A (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16019490 0.65 CA5A (0.40) CA5AMAPT
SCHEMBL7517822 0.61 KIF11 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16009917 0.59 PDK2 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6648375 0.59 TSHR (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18949691 0.58 KIF11 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3

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-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed