SCHEMBL30677139

SCHEMBL30677139

NCc1ccc(-n2nc(C(F)(F)F)cc2C2COC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 14/20 0.44
▸ KLKB1 P03952 1/20 0.43
▸ ORAI1 Q96D31 2/20 0.42
▸ PTGS2 P35354 2/20 0.40
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL30677012 0.88 CRACR2A (0.55) CRACR2AKLKB1ORAI1PTGS2
SCHEMBL31625043 0.88 PTGS2 (0.48) CRACR2AORAI1PTGS2CYP2C9
SCHEMBL30677116 0.80 PDPK1 (0.47) CRACR2AORAI1
SCHEMBL31625056 0.77 CRACR2A (0.44) CRACR2AKLKB1ORAI1
SCHEMBL4755012 0.76 KLKB1 (0.50) KLKB1ORAI1PTGS2CYP2C9
SCHEMBL30677026 0.75 CRACR2A (0.40) CRACR2AORAI1
SCHEMBL30785292 0.75 CRACR2A (0.53) CRACR2AORAI1PTGS2
SCHEMBL30785286 0.75 CRACR2A (0.56) CRACR2AORAI1PTGS2
SCHEMBL18865512 0.74 KLKB1 (0.49) KLKB1ORAI1PTGS2CYP2C9
SCHEMBL18865827 0.74 KLKB1 (0.42) KLKB1PTGS2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025129135-A2 COMPOSITIONS COMPRISING USP1 INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2025-06-19 — — WO disclosed
EP-4543890-A1 USP1 INHIBITORS AND USES THEREOF Forma Therapeutics, Inc. (US) 2025-04-30 — — EP disclosed
CN-119731178-A USP1 inhibitors and uses thereof 福马治疗有限公司 2025-03-28 — — CN disclosed
WO-2023250084-A1 USP1 INHIBITORS AND USES THEREOF FORMA THERAPEUTICS, INC. (US) 2023-12-28 — — WO disclosed
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