SCHEMBL31215476

SCHEMBL31215476

COCOc1cnc(Br)cc1I

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 3/20 0.31
▸ P2RX2 Q9UBL9 3/20 0.31
▸ EGFR P00533 1/20 0.30
▸ ERBB2 P04626 1/20 0.30
▸ HTR1A P08908 2/20 0.30
▸ HTR2A P28223 2/20 0.30
▸ HTR2C P28335 2/20 0.30
▸ HTR2B P41595 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ XDH P47989 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
SCHEMBL17541475 0.82 TUBB4A (0.34) P2RX3P2RX2HTR1AHTR2AHTR2C
SCHEMBL21823272 0.81 HTR1A (0.41) P2RX3P2RX2HTR1AHTR2AHTR2C
SCHEMBL29694847 0.81 HTR1A (0.41) P2RX3P2RX2HTR1AHTR2AHTR2C
SCHEMBL31281220 0.79 NPC1 (0.31) XDH
SCHEMBL389291 0.79 NPC1 (0.31) XDH
SCHEMBL594407 0.79 XDH (0.30) XDH
SCHEMBL31519323 0.79 BACE1 (0.33) EGFRERBB2XDH
SCHEMBL29965599 0.79 XDH (0.30) XDH
SCHEMBL20271260 0.79 BACE1 (0.33) EGFRERBB2XDH
SCHEMBL12036983 0.76 EGFR (0.32) EGFR

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-2024238406-A1 FUROPYRIDINE COMPOUNDS AS P53 MUTANT STABILIZER AND USES THEREOF FRONTIER MEDICINES CORPORATION (US) 2024-11-21 — — WO disclosed
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