SCHEMBL31132457

SCHEMBL31132457

C[C@@H](Br)C(=O)Nc1cnc(Oc2cc(F)c(F)cc2F)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX2 Q96LB1 1/20 0.43
▸ IDO1 P14902 3/20 0.36
▸ GCK P35557 8/20 0.34
▸ RAF1 P04049 3/20 0.33
▸ MAPK3 P27361 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ BRAF P15056 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL29563814 1.00 MRGPRX2 (0.43) MRGPRX2IDO1GCKRAF1MAPK3
SCHEMBL27211501 1.00 MRGPRX2 (0.43) MRGPRX2IDO1GCKRAF1MAPK3
SCHEMBL29078026 0.87 MRGPRX2 (0.55) MRGPRX2IDO1GCKRAF1MAPK3
SCHEMBL31133294 0.87 MRGPRX2 (0.55) MRGPRX2IDO1GCKRAF1MAPK3
SCHEMBL30473701 0.87 MRGPRX2 (0.55) MRGPRX2IDO1GCKRAF1MAPK3
SCHEMBL24297738 0.87 MRGPRX2 (0.55) MRGPRX2IDO1GCKRAF1MAPK3
SCHEMBL31132482 0.83 CARM1 (0.43) MRGPRX2IDO1TDP1BRAFACACB
SCHEMBL27211370 0.83 MRGPRX2 (0.42) MRGPRX2TDP1ACACB
SCHEMBL29564440 0.83 MRGPRX2 (0.42) MRGPRX2TDP1ACACB
SCHEMBL31510724 0.83 MRGPRX2 (0.41) MRGPRX2IDO1GCKTDP1ACACB

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-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 — — EP disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 — — WO disclosed
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