SCHEMBL27123716

SCHEMBL27123716

COc1cc2c(cc1Br)-c1c(c(C(=O)O)nn1-c1ccccn1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 4/20 0.45
▸ CDK2 P24941 4/20 0.45
▸ CCNA1 P78396 4/20 0.45
▸ GRM4 Q14833 1/20 0.39
▸ FFAR4 Q5NUL3 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3R2 O00459 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PIK3R5 Q8WYR1 1/20 0.37
▸ PIK3R3 Q92569 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
SCHEMBL30759548 1.00 CCNA2 (0.45) CCNA2CDK2CCNA1GRM4FFAR4
SCHEMBL27123712 0.88 ALDH1A1 (0.44) CCNA2CDK2CCNA1FFAR4KDM4E
SCHEMBL30759563 0.88 ALDH1A1 (0.44) CCNA2CDK2CCNA1FFAR4KDM4E
SCHEMBL27124419 0.87 CCNA2 (0.38) CCNA2CDK2CCNA1KDM4EALDH1A1
SCHEMBL30759662 0.87 CCNA2 (0.38) CCNA2CDK2CCNA1KDM4EALDH1A1
SCHEMBL12046660 0.82 CNR1 (0.40) CCNA2CDK2CCNA1ALDH1A1PDE10A
SCHEMBL30759539 0.82 CCNA2 (0.39) CCNA2CDK2CCNA1KDM4EALDH1A1
SCHEMBL30759644 0.82 PIK3CD (0.43) CCNA2CDK2CCNA1KDM4EALDH1A1
SCHEMBL27123717 0.82 PIK3CD (0.43) CCNA2CDK2CCNA1KDM4EALDH1A1
SCHEMBL27127162 0.82 CCNA2 (0.39) CCNA2CDK2CCNA1KDM4EALDH1A1

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-4577206-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF Celmatix Inc. (US) 2025-07-02 — — EP disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 — — WO disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 — — WO disclosed
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