SCHEMBL30739113

SCHEMBL30739113

COCc1c(C(=O)NCc2ccc(C(=N)N)cc2)cnn1Cc1ccc(CC#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 8/20 0.45
▸ F10 P00742 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ GPR142 Q7Z601 1/20 0.38
▸ MAPK11 Q15759 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ ALOX15 P16050 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ F7 P08709 1/20 0.36
▸ F3 P13726 1/20 0.36
▸ KLK1 P06870 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TPSAB1 Q15661 1/20 0.35
▸ CYP1A1 P04798 1/20 0.35

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
SCHEMBL30739059 0.88 KLKB1 (0.47) KLKB1F10CYP3A4GPR142MAPK11
SCHEMBL30739314 0.88 KLKB1 (0.42) KLKB1F10MAPK11MAPK14L3MBTL1
SCHEMBL30739167 0.87 KLKB1 (0.37) KLKB1CYP3A4GPR142F2ALDH1A1
SCHEMBL30739114 0.82 KLKB1 (0.46) KLKB1F10MAPK11MAPK14F2
SCHEMBL31591085 0.81 TSHR (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL30739420 0.80 NPC1 (0.40) CYP3A4L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL30739146 0.75 KLKB1 (0.77) KLKB1KLK1KDM4EALDH1A1
SCHEMBL30739063 0.71 KLKB1 (0.77) KLKB1KLK1
SCHEMBL30739085 0.71 KLKB1 (0.51) KLKB1F10TPSAB1LOXLOXL2
SCHEMBL30739043 0.71 KLKB1 (0.63) KLKB1F2KLK1SMN1; SMN2TPSAB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561993-A1 INHIBITORS OF PLASMA KALLIKREIN Rezolute, Inc. (US) 2025-06-04 — — EP disclosed
WO-2024025907-A1 INHIBITORS OF PLASMA KALLIKREIN REZOLUTE, INC. (US) 2024-02-01 — — WO disclosed
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