SCHEMBL7699720

SCHEMBL7699720

NC(=O)c1c(Br)n(Cc2ccc(Cl)cc2)c2ncnc(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CCNA1 P78396 1/20 0.46
▸ MAPK1 P28482 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ RET P07949 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ AKT1 P31749 1/20 0.39

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
SCHEMBL7701563 0.89 KDM4E (0.47) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL7696404 0.78 ADORA2A (0.54) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL7699589 0.77 DYRK1A (0.55) CCNA2CDK2CCNA1MAPK1TSHR
SCHEMBL30582626 0.72 DYRK1A (0.55) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL7696350 0.69 LRRK2 (0.53) MAPK1TSHRHTTKDM4EHSD17B10
SCHEMBL8991414 0.69 KDM4E (0.57) CDK1MAPK1TSHRHTTKDM4E
SCHEMBL7695781 0.68 DYRK1A (0.56) CCNA2CDK2CCNA1MAPK1TSHR
SCHEMBL8991251 0.68 KDM4E (0.49) MAPK1TSHRHTTKDM4EHSD17B10
SCHEMBL8991048 0.67 KDM4E (0.57) CDK1MAPK1TSHRHTTKDM4E
SCHEMBL18642946 0.67 RET (0.61) CDK1CCNB1CCNA2CDK2CCNA1

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-6342501-B1 VIRICIDES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2002-01-29 — — US disclosed
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