SCHEMBL18800622

SCHEMBL18800622

CC(C)(C)OC(=O)NCc1cccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)c(C(=N)N)c2N)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.39
▸ BTK Q06187 5/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ NAMPT P43490 2/20 0.38
▸ GLS O94925 3/20 0.38
▸ BRD4 O60885 2/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ CCKBR P32239 1/20 0.37
▸ HPN P05981 1/20 0.37
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL16168189 0.89 AURKA (0.40) BTKMAPK14PDCD1CD274
SCHEMBL18800573 0.87 MAPK14 (0.46) BTKMAPK14
SCHEMBL16168176 0.83 BTK (0.46) BTKBRD4
SCHEMBL18800882 0.82 BTK (0.42) BTK
SCHEMBL18800574 0.82 BTK (0.42) BTK
SCHEMBL18800641 0.82 BTK (0.42) BTK
SCHEMBL8568889 0.82 BTK (0.61) BTKBRD4CREBBP
SCHEMBL18800866 0.81 FFAR1 (0.44) —
SCHEMBL18800748 0.81 BTK (0.42) BTK
SCHEMBL1164851 0.80 CTSS (0.41) GRM2BTKCKS1BSKP1SKP2

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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