SCHEMBL12875252

SCHEMBL12875252

N=C(N)c1c(N)cc(-c2cccc(C(=O)Nc3nncs3)c2)nc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 4/20 0.42
▸ PLAU P00749 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ BTK Q06187 2/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ TNK2 Q07912 2/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ AQP4 P55087 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FABP1 P07148 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
SCHEMBL18800817 0.82 TNK2 (0.52) BTKSCN9ATNK2
SCHEMBL18800673 0.81 PGR (0.53) PLAUBTKRAB9AMEN1KMT2A
SCHEMBL18800663 0.81 ALDH1A1 (0.47) PLAUBTKTNK2
SCHEMBL6116298 0.81 BTK (0.63) GCKLMNABTKTNK2
SCHEMBL18800404 0.80 NPC1 (0.53) TNK2NPC1RAB9AMEN1KMT2A
SCHEMBL18800896 0.80 MCL1 (0.47) PLAUBTKTNK2
SCHEMBL1163194 0.79 GCK (0.44) GCKLMNANPC1RAB9AMEN1
SCHEMBL18800803 0.78 SCN9A (0.48) PLAUBTKSCN9AMEN1KMT2A
SCHEMBL18800677 0.78 MCL1 (0.46) LMNABTKSCN9ANPC1RAB9A
SCHEMBL18800806 0.77 BTK (0.49) LMNABTKTNK2MEN1KMT2A

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 2 patents. 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
WO-2011019780-A1 AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-17 — — WO disclosed
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