SCHEMBL31133294

SCHEMBL31133294

C[C@H](Br)C(=O)Nc1cnc(Oc2ccc(F)cc2F)cn1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX2 Q96LB1 1/20 0.55
▸ CARM1 Q86X55 2/20 0.44
▸ PRMT6 Q96LA8 1/20 0.44
▸ MAPK14 Q16539 2/20 0.44
▸ HSPB1 P04792 1/20 0.43
▸ RXRB P28702 2/20 0.42
▸ MAPT P10636 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ACACB O00763 1/20 0.39
▸ P2RY1 P47900 1/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ MAPK3 P27361 1/20 0.38
▸ GCK P35557 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ MAPK8 P45983 1/20 0.37
▸ TRPA1 O75762 1/20 0.37

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
SCHEMBL24297738 1.00 MRGPRX2 (0.55) MRGPRX2CARM1PRMT6MAPK14HSPB1
SCHEMBL29078026 1.00 MRGPRX2 (0.55) MRGPRX2CARM1PRMT6MAPK14HSPB1
SCHEMBL30473701 1.00 MRGPRX2 (0.55) MRGPRX2CARM1PRMT6MAPK14HSPB1
SCHEMBL31132457 0.87 MRGPRX2 (0.43) MRGPRX2ALDH1A1RAB9AACACBRAF1
SCHEMBL27211501 0.87 MRGPRX2 (0.43) MRGPRX2ALDH1A1RAB9AACACBRAF1
SCHEMBL29563814 0.87 MRGPRX2 (0.43) MRGPRX2ALDH1A1RAB9AACACBRAF1
SCHEMBL29564440 0.85 MRGPRX2 (0.42) MRGPRX2ACACB
SCHEMBL27211370 0.85 MRGPRX2 (0.42) MRGPRX2ACACB
SCHEMBL31510724 0.85 MRGPRX2 (0.41) MRGPRX2MAPK14ALDH1A1RAB9AACACB
SCHEMBL29564421 0.85 MRGPRX2 (0.41) MRGPRX2MAPK14ALDH1A1RAB9AACACB

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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