SCHEMBL30977355

SCHEMBL30977355

[2H]C([2H])([2H])Oc1ncc(F)cc1N

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
AURKA O14965 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
PIK3CA P42336 3/20 0.34
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
NNMT P40261 1/20 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
SCHEMBL14060011 0.86 MAPT (0.53) MAPTCASP1AURKATTKAURKB
Hydrochloric Acid SCHEMBL23501360 0.85 MAPT (0.51) MAPTCASP1AURKATTKAURKB
SCHEMBL30761863 0.78 KEAP1 (0.31)
SCHEMBL27194755 0.78 KEAP1 (0.31)
SCHEMBL17887312 0.76 TSHR (0.36) MAPTCASP1AURKATTKAURKB
SCHEMBL30761891 0.75
SCHEMBL20688497 0.74 ALOX5AP (0.38) MAPTCASP1AURKATTKAURKB
SCHEMBL20795082 0.73 MAPT (0.39) MAPTCASP1AURKATTKAURKB
SCHEMBL25011541 0.72 MAPT (0.32) MAPTCASP1AURKATTKAURKB
SCHEMBL19171818 0.71 GRM4 (0.37) MAPTCASP1AURKATTKAURKB

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
EP-4619402-A1 GPR17 MODULATORS AND USES THEREOF Myrobalan Therapeutics, Inc. (US) 2025-09-24 EP disclosed
WO-2024104462-A1 GPR17 MODULATORS AND USES THEREOF MYROBALAN THERAPEUTICS NANJING CO. LTD (CN) 2024-05-23 WO disclosed