SCHEMBL22626643

SCHEMBL22626643

COc1cc2c(cc1Br)-c1c(c(C(C)=O)nn1-c1ccsc1)CO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 6/20 0.35
▸ CDK2 P24941 6/20 0.35
▸ CCNA1 P78396 6/20 0.35
▸ TGFBR1 P36897 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3R2 O00459 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PIK3R5 Q8WYR1 1/20 0.31
▸ PIK3R3 Q92569 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ ADRA2A P08913 2/20 0.31
▸ ADRA2C P18825 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NR1H4 Q96RI1 2/20 0.30

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
SCHEMBL16333638 0.93 CCNA2 (0.39) CCNA2CDK2CCNA1TGFBR1ACVR1
SCHEMBL16377773 0.89 CCNA2 (0.43) CCNA2CDK2CCNA1MAPTPOLB
SCHEMBL22626591 0.88 CCNA2 (0.34) CCNA2CDK2CCNA1TGFBR1ACVR1
SCHEMBL29539301 0.87 PDE7A (0.32) NR1H4
SCHEMBL16334006 0.87 PDE7A (0.32) NR1H4
SCHEMBL16377782 0.87 CCNA2 (0.33) CCNA2CDK2CCNA1TGFBR1ACVR1
SCHEMBL16334004 0.86 CNR2 (0.33) CCNA2CDK2CCNA1MAPTPOLB
SCHEMBL16377828 0.85 CCNA2 (0.32) CCNA2CDK2CCNA1TGFBR1ACVR1
SCHEMBL16377818 0.85 CCNA2 (0.33) CCNA2CDK2CCNA1MAPTPOLB
SCHEMBL22626644 0.84 CCNA2 (0.30) CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
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