SCHEMBL28238899

SCHEMBL28238899

Nc1cccc(-c2nccnc2NCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.51
▸ EGFR P00533 3/20 0.48
▸ LDHA P00338 1/20 0.44
▸ LDHB P07195 1/20 0.44
▸ HIF1A Q16665 2/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ AURKA O14965 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ APP P05067 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL18448734 0.84 MAPK1 (0.48) EGFRHIF1ABACE1AURKAAPP
SCHEMBL22271053 0.73 HPGD (0.46) HIF1ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL18448955 0.70 HIF1A (0.47) EGFRHIF1AMAOAAURKAAPP
SCHEMBL8370748 0.69 AURKA (0.52) EGFRBACE1AURKAAPP
SCHEMBL24137549 0.69 FYN (0.61) FYNEGFRBACE1MAOAMEN1
SCHEMBL31631318 0.69 BACE1 (0.65) EGFRBACE1APPNPSR1MEN1
SCHEMBL6285864 0.69 BACE1 (0.65) EGFRBACE1APPNPSR1MEN1
SCHEMBL5157913 0.69 KDM4E (0.57) FYNMAOAMEN1KMT2A
SCHEMBL29922555 0.69 KDM4E (0.57) FYNMAOAMEN1KMT2A
SCHEMBL7459147 0.68 NOS2 (0.66) FYNEGFRBACE1CYP1A2CYP3A4

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
CN-108368494-A Methods, compositions and uses of novel FYN kinase inhibitors 沃伦·C·刘 2018-08-03 — — CN claimed
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