SCHEMBL25203384

SCHEMBL25203384

N#Cc1cnc(N)cc1NCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K8 P41279 9/20 0.48
▸ ACHE P22303 1/20 0.48
▸ FGFR4 P22455 1/20 0.48
▸ CYP1A2 P05177 3/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ CLK4 Q9HAZ1 3/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ SRC P12931 5/20 0.45
▸ MAPK13 O15264 4/20 0.45
▸ MAPK12 P53778 4/20 0.45
▸ MAP2K1 Q02750 4/20 0.45
▸ MAPK11 Q15759 4/20 0.45
▸ MAPK14 Q16539 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ PRKCG P05129 1/20 0.44
▸ PRKCB P05771 1/20 0.44
▸ PRKCA P17252 1/20 0.44

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
SCHEMBL30437399 1.00 MAP3K8 (0.48) MAP3K8ACHEFGFR4CYP1A2CYP3A4
SCHEMBL19630036 0.89 HRH3 (0.40) MAP3K8ACHEFGFR4ALDH1A1HSD17B10
SCHEMBL16669061 0.75 PRKCQ (0.53) PRKCQPRKCDPIK3CA
SCHEMBL16667970 0.74 FGFR4 (0.37) FGFR4CLK4PRKCQPIK3CA
SCHEMBL7519805 0.74 KMT2A (0.59) ACHECYP1A2CYP3A4CLK4CYP2D6
SCHEMBL22023334 0.73 PIK3CA (0.57) ALDH1A1HSD17B10KDM4EPIK3CALMNA
SCHEMBL29597546 0.73 PIK3CA (0.57) ALDH1A1HSD17B10KDM4EPIK3CALMNA
SCHEMBL1256953 0.73 ACHE (0.56) MAP3K8ACHECYP1A2CYP3A4CLK4
SCHEMBL1256820 0.73 PIK3CD (0.57) MAP3K8ACHECYP1A2CYP3A4CLK4
SCHEMBL4240648 0.72 PKM (0.49) ACHECYP1A2CYP3A4CLK4CYP2D6

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-2023082044-A1 5-FORMYL HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF 暨南大学 2023-05-19 — — WO disclosed
WO-2023082044-A1 5-FORMYL HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF 暨南大学 2023-05-19 — — WO disclosed
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