SCHEMBL9294923

SCHEMBL9294923

Oc1c(Cc2ccccc2)c(-c2ccccc2)nn1-c1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ CCNB2 O95067 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LDHA P00338 4/20 0.35
▸ LDHB P07195 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ EGFR P00533 1/20 0.33

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
SCHEMBL12003383 0.86 KDM4E (0.42) PTGDR2PAX8CCNB2CDK1CCNB1
SCHEMBL13741412 0.76 KMT2A (0.41) PTGDR2CCNA2CDK2MEN1KMT2A
SCHEMBL16387713 0.73 ALKBH3 (0.48) PAX8MEN1KMT2ANPC1RAB9A
SCHEMBL29850874 0.70 ALDH1A1 (0.44) PTGDR2MEN1KMT2ANPC1RAB9A
SCHEMBL22772166 0.70 ALDH1A1 (0.44) PTGDR2MEN1KMT2ANPC1RAB9A
SCHEMBL16857579 0.69 KDM4E (0.40) CCNB2CDK1CCNB1GSK3AGSK3B
Isuzinaxib SCHEMBL12003400 0.69 CYBB (0.48) PTGDR2MEN1KMT2AALDH1A1TSHR
Isuzinaxib SCHEMBL30527926 0.69 CYBB (0.48) PTGDR2MEN1KMT2AALDH1A1TSHR
Isuzinaxib SCHEMBL15610231 0.68 CYBB (0.47) PTGDR2MEN1KMT2AALDH1A1TSHR
Isuzinaxib SCHEMBL29374779 0.68 CYBB (0.47) PTGDR2MEN1KMT2AALDH1A1TSHR

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-5292744-A 1-[pyri(mi)dyl-(2)]-5-hydroxy-pyrazole microbicides BAYER AKTIENGESELLSCHAFT (DE) 1994-03-08 — — US claimed
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