SCHEMBL21822424

SCHEMBL21822424

N=C(N)c1ccc2cc(C(=O)NC3CCC(F)(F)CC3)n(Cc3cccc(NCCCN)c3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 18/20 0.44
▸ ACKR3 P25106 1/20 0.42
▸ F2 P00734 2/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41

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
SCHEMBL21822181 0.91 F10 (0.41) F10F2ITGB3ITGA2B
SCHEMBL25016802 0.90 ACKR3 (0.45) F10ACKR3F2ITGB3ITGA2B
SCHEMBL21822498 0.87 F10 (0.57) F10F2
SCHEMBL25017373 0.84 F10 (0.46) F10F2ITGB3ITGA2B
SCHEMBL25017861 0.84 F10 (0.45) F10F2ITGB3ITGA2B
SCHEMBL25016803 0.82 F10 (0.47) F10F2ITGB3ITGA2B
SCHEMBL25017234 0.81 F10 (0.49) F10F2ITGB3ITGA2B
SCHEMBL25015731 0.80 ST14 (0.52) F10F2ITGB3ITGA2B
SCHEMBL21822135 0.78 ITGB3 (0.40) F10F2ITGB3ITGA2B
SCHEMBL25016089 0.76 F10 (0.52) F10F2ITGB3ITGA2B

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-3860636-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF Disc Medicine, Inc. (US) 2021-08-11 — — EP disclosed
WO-2020072580-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. (US) 2020-04-09 — — WO disclosed
Send feedback