SCHEMBL18800831

SCHEMBL18800831

N=C(N)c1c(-c2ccc(Oc3ccccc3)cc2)ncc(-c2cccc(C(=O)O)c2)c1N

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 3/20 0.50
▸ AKR1C3 P42330 1/20 0.43
▸ BTK Q06187 6/20 0.42
▸ F2 P00734 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ MAP4K4 O95819 1/20 0.40
▸ FEN1 P39748 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ DDT P30046 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.38
▸ AXL P30530 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL18800691 0.90 BTK (0.43) TNK2BTKF10
SCHEMBL18800693 0.89 IGF1R (0.46) TNK2BTKF2F10
SCHEMBL18800755 0.88 TNK2 (0.50) TNK2AKR1C3BTKF2F10
SCHEMBL18800635 0.87 BTK (0.48) TNK2BTK
SCHEMBL18800914 0.86 CFD (0.45) AKR1C3MAP4K4CHEK2NR1H4AXL
SCHEMBL18800767 0.85 RAB9A (0.48) TNK2BTKF10MAP4K4
SCHEMBL18800829 0.81 TNK2 (0.34) TNK2F2F10MAP4K4FEN1
SCHEMBL18800757 0.81 TNK2 (0.49) TNK2BTKMAP4K4FEN1
SCHEMBL18800411 0.80 BTK (0.56) TNK2BTK
SCHEMBL18800817 0.79 TNK2 (0.52) TNK2AKR1C3BTKF2F10

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-2789615-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
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