SCHEMBL18800615

SCHEMBL18800615

N=C(N)c1c(-c2ccc(Oc3ccccc3)cc2)cnc(-c2ccc(NC(=O)c3ccccc3)cc2)c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.62
▸ PGR P06401 2/20 0.53
▸ KCNQ3 O43525 1/20 0.47
▸ KCNQ2 O43526 1/20 0.47
▸ KCNE1 P15382 1/20 0.47
▸ KCNQ1 P51787 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RAB9A P51151 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ BRAF P15056 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL18800753 0.86 BTK (0.49) BTK
SCHEMBL16168177 0.86 PARP10 (0.51) BTKKMT2A
SCHEMBL18800757 0.86 TNK2 (0.49) BTK
SCHEMBL18800492 0.85 BTK (0.48) BTK
SCHEMBL18800616 0.84 BTK (0.47) BTK
SCHEMBL18800564 0.83 BTK (0.47) BTKMEN1KMT2ARAB9ANPC1
SCHEMBL18800565 0.82 BTK (0.61) BTKPGRRAB9ANPC1
SCHEMBL18800755 0.82 TNK2 (0.50) BTK
SCHEMBL18800747 0.81 KMT2A (0.46) BTKMEN1KMT2ANPSR1RAB9A
SCHEMBL18800573 0.81 MAPK14 (0.46) BTK

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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