SCHEMBL21823023

SCHEMBL21823023

CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cc3ccc(C(=N)N)cc3n2Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ F2 P00734 7/20 0.51
▸ PRSS1 P07477 7/20 0.51
▸ PLG P00747 2/20 0.47
▸ PRSS2 P07478 2/20 0.47
▸ PRSS3 P35030 2/20 0.47
▸ TPSAB1 Q15661 2/20 0.47
▸ TPSD1 Q9BZJ3 2/20 0.47
▸ TPSG1 Q9NRR2 2/20 0.47
▸ TP53 P04637 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
SCHEMBL28573746 0.91 KDM4E (0.51) F10KDM4EPKMF2PRSS1
SCHEMBL21822834 0.89 KDM4E (0.49) F10KDM4EPKMF2PRSS1
SCHEMBL21822651 0.86 KDM4E (0.51) F10KDM4EPKMTP53
SCHEMBL21822628 0.83 F10 (0.55) F10F2PRSS1
SCHEMBL25016738 0.81 F10 (0.49) F10F2PRSS1
SCHEMBL28585736 0.81 F10 (0.49) F10F2PRSS1
SCHEMBL25015770 0.80 KDM4E (0.49) F10KDM4EPKMTP53
SCHEMBL10144835 0.78 KDM4E (0.76) KDM4EPKM
SCHEMBL25015873 0.78 F10 (0.51) F10F2PRSS1PLGTPSAB1
SCHEMBL25017879 0.78 F10 (0.53) F10F2PRSS1PLGPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3860636-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF Disc Medicine, Inc. (US) 2021-08-11 — — EP disclosed
CN-112996529-A Matriptase 2 inhibitor and application thereof 迪斯克医药公司 2021-06-18 — — CN disclosed
WO-2020072580-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. (US) 2020-04-09 — — WO disclosed
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