SCHEMBL31490984

SCHEMBL31490984

N=C(N)Nc1ccc(-c2ccc(CBr)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.38
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PRSS1 P07477 4/20 0.35
▸ F2 P00734 3/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ TMPRSS6 Q8IU80 1/20 0.35
▸ ST14 Q9Y5Y6 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 1/20 0.34

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
SCHEMBL28178606 0.94 PRSS1 (0.38) SMN1; SMN2PRSS1F2PRSS2PRSS3
SCHEMBL399197 0.84 KIF11 (0.48) KIF11HTTSMN1; SMN2L3MBTL1PRSS1
SCHEMBL3785285 0.78 AOC3 (0.45) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL1743186 0.78 ADRA2A (0.50) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL1996992 0.77 F2 (0.50) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL327252 0.76 LOXL2 (0.54) PRSS1ST14PLGPLAUPLAT
SCHEMBL27846380 0.76 WDR5 (0.54) HTTSMN1; SMN2PRSS1PRSS2PRSS3
SCHEMBL20553484 0.76 PRSS1 (0.54) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL27114626 0.76 MAPT (0.50) KIF11HTTSMN1; SMN2L3MBTL1PRSS1
SCHEMBL3772999 0.75 GRIN2D (0.58) SMN1; SMN2L3MBTL1PRSS1F2MEN1

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
CN-119661535-A 7H-pyrrolo [3,2-f ] quinazoline derivatives and anti-infective application thereof 中国医学科学院药物研究所 2025-03-21 — — CN disclosed
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