SCHEMBL16168173

SCHEMBL16168173

COc1ccc(-c2ncc(N)c(C(=N)N)c2-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL18800765 0.94 BTK (0.41) TNK2NPC1RAB9ABTK
SCHEMBL18800747 0.81 KMT2A (0.46) TNK2TP53LTA4HSMN1; SMN2KDM4E
SCHEMBL18800874 0.80 HTT (0.46) TNK2SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL18800471 0.79 TNK2 (0.40) TNK2LTA4HALDH1A1PTGDR2BTK
SCHEMBL18800785 0.77 MCL1 (0.50) TNK2LTA4HKDM4EALDH1A1NPC1
SCHEMBL18800795 0.76 BTK (0.43) TNK2BTK
SCHEMBL18800753 0.74 BTK (0.49) TNK2ADORA2ABTKADORA1
SCHEMBL18800745 0.74 BTK (0.43) TNK2LTA4HNPC1RAB9ABTK
SCHEMBL18800769 0.73 ADORA2A (0.48) TNK2TP53SMN1; SMN2ALDH1A1NPC1
SCHEMBL18800492 0.73 BTK (0.48) TNK2ADORA2ABTKADORA1

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-A1 Azaindazoles as Btk kinase modulators and use thereof Bristol-Myers Squibb Company (US) 2014-10-15 — — EP disclosed
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