SCHEMBL18800775

SCHEMBL18800775

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 3/20 0.48
▸ BTK Q06187 11/20 0.45
▸ ADORA1 P30542 3/20 0.44
▸ ADORA2A P29274 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ADORA2B P29275 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
SCHEMBL18800492 0.90 BTK (0.48) TNK2BTKADORA1ADORA2A
SCHEMBL18800616 0.89 BTK (0.47) TNK2BTKADORA1ADORA2A
SCHEMBL18800753 0.89 BTK (0.49) TNK2BTKADORA1ADORA2A
SCHEMBL18800769 0.88 ADORA2A (0.48) TNK2BTKADORA1ADORA2AMAPT
SCHEMBL18800882 0.87 BTK (0.42) TNK2BTKMAPTNPSR1
SCHEMBL18800641 0.86 BTK (0.42) TNK2BTKMAPTNPSR1
SCHEMBL18800755 0.86 TNK2 (0.50) TNK2BTK
SCHEMBL18800585 0.86 BTK (0.41) TNK2BTK
SCHEMBL18800574 0.86 BTK (0.42) TNK2BTKMAPTNPSR1
SCHEMBL18800748 0.86 BTK (0.42) TNK2BTKMAPTNPSR1LMNA

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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