SCHEMBL18800829

SCHEMBL18800829

N=C(N)c1c(-c2ccc(OC3C=CC=CC3)cc2)ncc(-c2cccc(C(=O)O)c2)c1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 2/20 0.34
▸ MAP4K4 O95819 2/20 0.34
▸ DDT P30046 1/20 0.33
▸ SSTR2 P30874 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ PTPN11 Q06124 1/20 0.31
▸ FEN1 P39748 2/20 0.31
▸ F2 P00734 2/20 0.31
▸ F10 P00742 2/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ F7 P08709 1/20 0.31
▸ PRSS3 P35030 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ PLAU P00749 1/20 0.31

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
SCHEMBL18800692 0.90 TEK (0.35) F2F10FYNAXL
SCHEMBL18800818 0.84 TNK2 (0.35) TNK2LMNAGAAPDE4APDE4B
SCHEMBL18800831 0.81 TNK2 (0.50) TNK2MAP4K4DDTLMNAGAA
SCHEMBL18800654 0.76 MKNK1 (0.35) MAP4K4
SCHEMBL18800691 0.73 BTK (0.43) TNK2F10FYNPLAU
SCHEMBL18800693 0.72 IGF1R (0.46) TNK2F2F10
SCHEMBL18800758 0.72 DYRK1A (0.33) PLAU
SCHEMBL18800755 0.70 TNK2 (0.50) TNK2MAP4K4F2F10
SCHEMBL18800767 0.70 RAB9A (0.48) TNK2MAP4K4F10
SCHEMBL18800914 0.69 CFD (0.45) MAP4K4LMNAFYNNR1H4AXL

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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