SCHEMBL8712368

SCHEMBL8712368

CC(=O)OC/C(C)=C/CNc1ncnc2[nH]cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ CYP1A2 P05177 2/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CCNB2 O95067 2/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ CCNB1 P14635 2/20 0.40
▸ CCNB3 Q8WWL7 2/20 0.40
▸ HSD17B10 Q99714 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ BRAF P15056 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ HIF1A Q16665 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL8712371 0.82 TSHR (0.70) TSHRRECQLCYP1A2CDK2HSD17B10
SCHEMBL17693470 0.82 TSHR (0.52) TSHRRECQLCYP1A2CDK2CCNB2
SCHEMBL15950878 0.82 TSHR (0.66) TSHRRECQLCYP1A2CDK2CCNB2
SCHEMBL17693471 0.82 TSHR (0.52) TSHRRECQLCYP1A2CDK2CCNB2
SCHEMBL14876945 0.82 TSHR (0.66) TSHRRECQLCYP1A2CDK2CCNB2
SCHEMBL49689 0.82 TSHR (0.66) TSHRRECQLCYP1A2CDK2CCNB2
Hydrochloric Acid SCHEMBL584648 0.81 TSHR (0.64) TSHRRECQLCYP1A2CDK2CCNB2
SCHEMBL2027216 0.81 CDK2 (0.63) TSHRRECQLCYP1A2CDK2CCNB2
Phosphoric Acid SCHEMBL3301227 0.80 TSHR (0.59) TSHRRECQLCYP1A2CDK2CCNB2
Adenine SCHEMBL9737077 0.75 CDK2 (0.56) TSHRRECQLCYP1A2CDK2CCNB2

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
US-20130004966-A1 STRUCTURE OF CYTOKININS AND CYTOKININ RECEPTORS, AND MODULATION OF CYTOKININ SIGNALING Salk Institute for Biological Studies (027731) (US) 2013-01-03 — — US disclosed
EP-0540854-B1 Preparation for promoting hair growth SANSHO SEIYAKU KK (JP) 1998-01-21 — — EP disclosed
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