SCHEMBL11557178

SCHEMBL11557178

Nc1nc2ccc(C(=NO)c3ccccc3)cc2n1C1=NCCS1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KB Q9UBF8 1/20 0.51
▸ GFER P55789 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ LYN P07948 1/20 0.32
▸ RET P07949 1/20 0.32
▸ KIT P10721 1/20 0.32

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
SCHEMBL11557174 1.00 PI4KB (0.51) PI4KBGFERALDH1A1HPGDKMT2A
SCHEMBL11152584 0.85 PI4KB (0.34) PI4KBKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL11159784 0.85 ABL1 (0.42) PI4KBALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL11555815 0.85 PI4KB (0.41) PI4KBALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL11555819 0.85 PI4KB (0.41) PI4KBALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL11260958 0.83 PI4KB (0.35) PI4KBKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL11263874 0.83 PI4KB (0.35) PI4KBKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL11263866 0.83 PI4KB (0.35) PI4KBKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL11147950 0.82 PI4KB (0.33) PI4KBKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL11147951 0.82 PI4KB (0.33) PI4KBKMT2ASMN1; SMN2MEN1NPC1

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
US-4150028-A Antiviral thiazolinyl benzimidazoles ELI LILLY AND COMPANY (US) 1979-04-17 — — US claimed
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