SCHEMBL18800583

SCHEMBL18800583

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.43
▸ PARP10 Q53GL7 1/20 0.39
▸ PARP3 Q9Y6F1 1/20 0.39
▸ TNK2 Q07912 5/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GSTP1 P09211 1/20 0.35
▸ MAPT P10636 1/20 0.35

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 0.91 BTK (0.49) BTKTNK2SCN9A
SCHEMBL18800492 0.90 BTK (0.48) BTKTNK2SCN9A
SCHEMBL18800482 0.90 BTK (0.40) BTKTNK2GSTP1
SCHEMBL18800616 0.89 BTK (0.47) BTKTNK2SCN9A
SCHEMBL18800564 0.88 BTK (0.47) BTKTNK2SCN9AALDH1A1LMNA
SCHEMBL18800757 0.86 TNK2 (0.49) BTKPARP10TNK2SCN9A
SCHEMBL16168177 0.86 PARP10 (0.51) BTKPARP10TNK2SCN9AALDH1A1
SCHEMBL18800747 0.85 KMT2A (0.46) BTKTNK2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL18800776 0.83 BTK (0.49) BTKTNK2SCN9A
SCHEMBL18800651 0.81 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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