SCHEMBL18780329

SCHEMBL18780329

N=C(N)c1c(-c2ccc(Oc3ccccc3)cc2)cc(-c2cccc(C(=O)Nc3ccccc3)c2)nc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.53
▸ F2 P00734 1/20 0.47
▸ PLG P00747 1/20 0.47
▸ PLAT P00750 1/20 0.47
▸ KLKB1 P03952 1/20 0.47
▸ KLK1 P06870 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ BTK Q06187 2/20 0.47
▸ FABP1 P07148 2/20 0.47
▸ PGR P06401 2/20 0.46
▸ ATR Q13535 4/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46
▸ PRKDC P78527 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL16168586 0.90 BTK (0.48) PLAUF2BTKFABP1MEN1
SCHEMBL18780323 0.88 BTK (0.52) F2BTK
SCHEMBL18780265 0.86 BTK (0.52) PLAUF2BTKATR
SCHEMBL18780383 0.86 NPC1 (0.54) F2PLGPRSS1BTKATR
SCHEMBL18780327 0.82 BTK (0.54) F2BTKMEN1KMT2ANPC1
SCHEMBL18780267 0.81 BTK (0.53) F2BTKMEN1KMT2ANPC1
SCHEMBL18780264 0.81 BTK (0.55) PLGPLATPRSS1BTKATR
SCHEMBL18780343 0.80 BTK (0.50) BTKNPC1RAB9A
SCHEMBL6115598 0.80 BTK (0.58) BTKFABP1PGR
SCHEMBL18780338 0.79 RAB9A (0.50) BTKATRMEN1KMT2ARAB9A

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-2789614-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-04-26 — — EP disclosed
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