SCHEMBL18800755

SCHEMBL18800755

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 3/20 0.50
▸ AKR1C3 P42330 1/20 0.43
▸ MAP4K4 O95819 2/20 0.42
▸ BTK Q06187 10/20 0.42
▸ F2 P00734 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ CHEK2 O96017 1/20 0.39

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
SCHEMBL18800757 0.89 TNK2 (0.49) TNK2MAP4K4BTK
SCHEMBL18800881 0.89 F10 (0.46) TNK2BTKF2F10
SCHEMBL18800831 0.88 TNK2 (0.50) TNK2AKR1C3MAP4K4BTKF2
SCHEMBL18800492 0.87 BTK (0.48) TNK2BTK
SCHEMBL18800775 0.86 TNK2 (0.48) TNK2BTK
SCHEMBL18800616 0.86 BTK (0.47) TNK2BTK
SCHEMBL18800753 0.86 BTK (0.49) TNK2BTK
SCHEMBL18800769 0.85 ADORA2A (0.48) TNK2BTKCHEK2
SCHEMBL16168177 0.85 PARP10 (0.51) TNK2BTKF2CHEK2
SCHEMBL18800482 0.85 BTK (0.40) TNK2BTK

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
Send feedback