SCHEMBL23219249

SCHEMBL23219249

CC(C)n1nc(-c2ccc(CO)cc2)c2cc(Br)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CMKLR1 Q99788 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ HCK P08631 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ EPHB4 P54760 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ MAP2K4 P45985 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ESR1 P03372 1/20 0.34

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
SCHEMBL23218320 0.78 NLRP3 (0.42) MAPTLMNANLRP3DNM1SMN1; SMN2
SCHEMBL23219248 0.78 ROCK1 (0.40) KDM4EKMT2AMEN1TSHRESR1
SCHEMBL28736106 0.75 CMKLR1 (0.47) KDM4EKMT2ACMKLR1
SCHEMBL15970798 0.71 MAPK8 (0.40) KMT2AMEN1MAPTLMNANLRP3
SCHEMBL23467048 0.71 NLRP3 (0.40) KMT2AMEN1MAPTLMNANLRP3
SCHEMBL15687394 0.71 SYK (0.43) KDM4EPIK3CDABL1EGFRHCK
SCHEMBL17195540 0.70 NLRP3 (0.43) KMT2AEGFRMEN1MAPTLMNA
SCHEMBL13322762 0.70 PDGFRA (0.44) KMT2APIK3CDABL1EGFRHCK
SCHEMBL11689307 0.70 KDM4E (0.37) KDM4EKMT2ACMKLR1PIK3CDABL1
SCHEMBL29770858 0.70 SYK (0.42) KDM4ECMKLR1PIK3CDABL1EGFR

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
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 — — WO disclosed
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