SCHEMBL18800640

SCHEMBL18800640

N=C(N)c1c(-c2ccc(Oc3ccccc3)cc2)cnc(-c2cnccn2)c1N

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.43
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TNK2 Q07912 1/20 0.33

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
SCHEMBL18800729 0.89 BTK (0.51) BTKNPC1RAB9A
SCHEMBL18800753 0.86 BTK (0.49) BTKTNK2
SCHEMBL18800492 0.85 BTK (0.48) BTKTNK2
SCHEMBL18800616 0.84 BTK (0.47) BTKTNK2
SCHEMBL18800564 0.83 BTK (0.47) BTKNPC1RAB9ATNK2
SCHEMBL18800747 0.81 KMT2A (0.46) BTKNPC1RAB9ATNK2
SCHEMBL18800770 0.80 BTK (0.57) BTKTNK2
SCHEMBL18800757 0.79 TNK2 (0.49) BTKTNK2
SCHEMBL16168177 0.79 PARP10 (0.51) BTKTNK2
SCHEMBL18800651 0.79 BTK (0.43) BTKTNK2

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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