SCHEMBL18800565

SCHEMBL18800565

CS(=O)(=O)Nc1ccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)c(C(=N)N)c2N)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.61
▸ PGR P06401 3/20 0.51
▸ IKBKB O14920 1/20 0.44
▸ CHUK O15111 1/20 0.44
▸ USP7 Q93009 1/20 0.40
▸ ATR Q13535 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ AR P10275 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ PIP4K2A P48426 1/20 0.39
▸ PIP4K2B P78356 1/20 0.39
▸ F10 P00742 2/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MET P08581 1/20 0.38

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
SCHEMBL18800768 0.86 BTK (0.45) BTKNPC1RAB9ASMN1; SMN2
SCHEMBL18800492 0.85 BTK (0.48) BTK
SCHEMBL18800616 0.84 BTK (0.47) BTK
SCHEMBL18800747 0.83 KMT2A (0.46) BTKHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL18800564 0.83 BTK (0.47) BTKNPC1RAB9A
SCHEMBL18800615 0.82 BTK (0.62) BTKPGRNPC1RAB9A
SCHEMBL18800751 0.82 BTK (0.46) BTKATR
SCHEMBL18800757 0.81 TNK2 (0.49) BTK
SCHEMBL16168177 0.81 PARP10 (0.51) BTKCHEK2

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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