SCHEMBL31723227

SCHEMBL31723227

COc1ccc(Nc2cc(F)cc(N)c2C)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
PIK3CA P42336 1/20 0.42
TUBB1 Q9H4B7 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHFR P00374 1/20 0.39
MAPK14 Q16539 2/20 0.38
GALR2 O43603 3/20 0.37
GALR1 P47211 1/20 0.37
CDK2 P24941 1/20 0.36
CYP3A4 P08684 1/20 0.36
FLT3 P36888 1/20 0.36
KDM1A O60341 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL22232183 1.00 ABCG2 (0.43) ABCG2ABCB1ABCC1PIK3CATUBB1
SCHEMBL29454207 1.00 ABCG2 (0.43) ABCG2ABCB1ABCC1PIK3CATUBB1
SCHEMBL29454092 0.88 ABCG2 (0.42) ABCG2ABCB1ABCC1PIK3CATUBB1
SCHEMBL31723248 0.86 BACE2 (0.41) ABCG2ABCB1ABCC1PIK3CATUBB1
SCHEMBL22232200 0.86 BACE2 (0.41) ABCG2ABCB1ABCC1PIK3CATUBB1
SCHEMBL29454056 0.86 BACE2 (0.41) ABCG2ABCB1ABCC1PIK3CATUBB1
SCHEMBL22231847 0.84 GAA (0.48) PIK3CAMAPTDHFRMEN1KMT2A
SCHEMBL29454094 0.84 GAA (0.48) PIK3CAMAPTDHFRMEN1KMT2A
SCHEMBL22232189 0.78 GFER (0.51) PIK3CAMAPTMAPK1MAPK14MEN1
SCHEMBL31723202 0.78 GFER (0.51) PIK3CAMAPTMAPK1MAPK14MEN1

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
EP-4647426-A2 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS, PREPARATION AND USE THEREOF PI Industries Ltd. (IN) 2025-11-12 EP claimed