SCHEMBL18800757

SCHEMBL18800757

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 3/20 0.49
▸ BTK Q06187 3/20 0.46
▸ SRD5A2 P31213 3/20 0.44
▸ MAP4K4 O95819 3/20 0.42
▸ PARP10 Q53GL7 2/20 0.42
▸ PARP15 Q460N3 1/20 0.42
▸ FEN1 P39748 2/20 0.41
▸ SCN9A Q15858 1/20 0.40
▸ DHODH Q02127 1/20 0.40

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
SCHEMBL16168177 0.93 PARP10 (0.51) TNK2BTKPARP10PARP15FEN1
SCHEMBL18800753 0.92 BTK (0.49) TNK2BTKSCN9A
SCHEMBL18800492 0.91 BTK (0.48) TNK2BTKSCN9A
SCHEMBL18800616 0.90 BTK (0.47) TNK2BTKSCN9A
SCHEMBL18800755 0.89 TNK2 (0.50) TNK2BTKMAP4K4
SCHEMBL18800564 0.89 BTK (0.47) TNK2BTKSCN9A
SCHEMBL18800747 0.86 KMT2A (0.46) TNK2BTK
SCHEMBL18800583 0.86 BTK (0.43) TNK2BTKPARP10SCN9A
SCHEMBL18800615 0.86 BTK (0.62) BTK
SCHEMBL18800556 0.84 ATR (0.44) BTKPARP10

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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