SCHEMBL31206751

SCHEMBL31206751

Cc1cc(Br)nc(Cl)c1N

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TERT O14746 1/20 0.34
POLB P06746 2/20 0.33
CD44 P16070 1/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 2/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
UHRF1 Q96T88 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 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
SCHEMBL3208148 1.00 CYP3A4 (0.37) CYP3A4ALDH1A1TSHRTP53TDP1
SCHEMBL29759333 0.79 ALDH1A1 (0.42) CYP3A4ALDH1A1TP53TDP1POLB
SCHEMBL4663299 0.79 ALDH1A1 (0.42) CYP3A4ALDH1A1TP53TDP1POLB
SCHEMBL5746102 0.77 ALDH1A1 (0.40) CYP3A4ALDH1A1TSHRTP53TDP1
SCHEMBL30421541 0.77 ALDH1A1 (0.40) CYP3A4ALDH1A1TSHRTP53TDP1
SCHEMBL1868968 0.77 GAA (0.40) TDP1MEN1HTTKMT2AGAA
SCHEMBL3886713 0.77 POLB (0.53) CYP3A4ALDH1A1TSHRTP53TDP1
SCHEMBL11985860 0.77 ALDH1A1 (0.32) ALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL29513014 0.77 POLB (0.53) CYP3A4ALDH1A1TSHRTP53TDP1
SCHEMBL4596400 0.77 TDP1 (0.34) TDP1MEN1HTTKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705308-A1 EGFR INHIBITORS FOR TREATING DISEASE Blossomhill Therapeutics, Inc. (US) 2026-03-11 EP disclosed
WO-2024229087-A1 EGFR INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2024-11-07 WO disclosed
WO-2024229091-A1 EGFR INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2024-11-07 WO disclosed