SCHEMBL30280436

SCHEMBL30280436

CCc1cc2cc(Br)cnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.44
ENPP1 P22413 2/20 0.44
PIK3C3 Q8NEB9 1/20 0.40
LMNA P02545 1/20 0.37
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
HDAC8 Q9BY41 1/20 0.35
TSHR P16473 1/20 0.35
PPARD Q03181 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CXCL8 P10145 1/20 0.35
NOD1 Q9Y239 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
EGFR P00533 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL25153267 1.00 ENPP3 (0.44) ENPP3ENPP1PIK3C3LMNAPPARG
SCHEMBL7515939 0.84 ENPP3 (0.50) ENPP3ENPP1LMNATSHRPTGDR2
SCHEMBL23246934 0.83 PIK3C3 (0.41) PIK3C3LMNAPPARGPPARATSHR
SCHEMBL1771967 0.81 KMT2A (0.44) PIK3C3LMNAPTGDR2NOD1SMN1; SMN2
SCHEMBL1359027 0.81 ENPP3 (0.45) ENPP3ENPP1LMNAHDAC8PTGDR2
SCHEMBL1773229 0.81 CYP2C19 (0.51) ENPP1PIK3C3LMNATSHRPTGDR2
SCHEMBL18918873 0.81 ENPP3 (0.46) ENPP3ENPP1LMNAHDAC8CXCL8
SCHEMBL18918772 0.80 ENPP3 (0.46) ENPP3ENPP1SMN1; SMN2MAPTCYP2C19
SCHEMBL4197377 0.79 GRIN1 (0.39) PIK3C3TSHRPTGDR2CYP2C19
SCHEMBL20502417 0.78 ENPP3 (0.48) ENPP3ENPP1LMNAPPARGTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023064218-A1 TYRO3 INHIBITORS Halia Therapeutics, Inc. (US) 2023-04-20 WO disclosed
WO-2023049270-A1 PYRROLE[2,3-B]PYRIDINE DERIVATIVES AS TYRO3 INHIBITORS Halia Therapeutics, Inc. (US) 2023-03-30 WO disclosed