SCHEMBL30254296

SCHEMBL30254296

O=C(Nc1cccc(Br)c1F)[C@@H]1C[C@H]2C[C@H]2N1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.42
▸ CFD P00746 7/20 0.38
▸ POLB P06746 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ HTT P42858 1/20 0.35
▸ CTSC P53634 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL25549352 1.00 KLKB1 (0.42) KLKB1CFDPOLBCASP6CTDSP1
SCHEMBL25249527 1.00 KLKB1 (0.42) KLKB1CFDPOLBCASP6CTDSP1
SCHEMBL19234672 0.80 CFD (0.45) KLKB1CFD
SCHEMBL29840887 0.80 CFD (0.45) KLKB1CFD
SCHEMBL18576410 0.80 CFD (0.40) KLKB1CFDPOLBMEN1KMT2A
SCHEMBL17034800 0.80 CFD (0.40) KLKB1CFDPOLBMEN1KMT2A
SCHEMBL19234185 0.80 CFD (0.45) KLKB1CFD
SCHEMBL18572911 0.80 CFD (0.40) KLKB1CFDPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL17023486 0.79 CFD (0.40) KLKB1CFDPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL18548455 0.79 CFD (0.40) KLKB1CFDPOLBMEN1KMT2A

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-4125914-A1 PYRROLOPYRIMIDINE AMINES AS COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2023-02-08 — — EP disclosed
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