SCHEMBL20004875

SCHEMBL20004875

CCc1nc(OC)ccc1C(=O)c1c(CC)[nH]c2cc(C#N)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.35
ALK Q9UM73 7/20 0.35
PIN1 Q13526 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
CFB P00751 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
EML4 Q9HC35 2/20 0.33
SRPK2 P78362 2/20 0.32
SRPK1 Q96SB4 2/20 0.32
SERPINE1 P05121 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 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
SCHEMBL28588337 0.75 PIN1 (0.45) ALKPIN1MEN1KMT2AEML4
SCHEMBL24676285 0.70 ALK (0.42) ALKMEN1KMT2A
SCHEMBL20004106 0.68 ALK (0.51) ALK
SCHEMBL21443144 0.68 ALK (0.38) ALKEML4SRPK2SRPK1SERPINE1
SCHEMBL21443123 0.68 ALK (0.37) ALKEML4SRPK2SRPK1
SCHEMBL20004742 0.65 ALK (0.42) ALKEML4SRPK2SRPK1
SCHEMBL24195300 0.65 TDP1 (0.62) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL897916 0.65 PIN1 (0.38) GSK3BALKPIN1CFB
SCHEMBL24676771 0.65 SLC22A12 (0.46) MEN1KMT2A
SCHEMBL31554152 0.64 POLB (0.47) KMT2AGABRPGABRDGABRA1GABRB1

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
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed