SCHEMBL30677159

SCHEMBL30677159

Cc1cc(C(C)(C)O)nn1-c1ccc(CN)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.44
▸ CYP1A2 P05177 1/20 0.40
▸ CDK8 P49336 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ POLB P06746 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ STIM1 Q13586 1/20 0.33
▸ ORAI1 Q96D31 1/20 0.33
▸ TERT O14746 1/20 0.33

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
SCHEMBL18865512 0.84 KLKB1 (0.49) MAPK14CYP1A2KLKB1MAPTSTIM1
SCHEMBL30677147 0.80 PTGS2 (0.41) MAPK14CDK8MAPTPOLBTDP1
SCHEMBL30677244 0.80 CRACR2A (0.43) MAPK14ORAI1
SCHEMBL2288170 0.78 MAPT (0.53) CYP1A2MAPTPOLBTDP1L3MBTL1
SCHEMBL31546285 0.77 SLC34A1 (0.44) MAPTTDP1ALDH1A1NPSR1
SCHEMBL31625143 0.76 KLKB1 (0.48) MAPK14KLKB1ORAI1
SCHEMBL31625145 0.76 KLKB1 (0.48) MAPK14KLKB1ORAI1
SCHEMBL18865795 0.75 CYP1A2 (0.43) MAPK14CYP1A2MAPTPOLBL3MBTL1
SCHEMBL30607571 0.74 F10 (0.40) MAPK14KLKB1MAPTALDH1A1
SCHEMBL21821540 0.73 SMN1; SMN2 (0.45) MAPTTDP1L3MBTL1ALDH1A1

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-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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