SCHEMBL7701563

SCHEMBL7701563

Cc1ccc(Cn2c(Br)c(C(N)=O)c3c(N)ncnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CDK1 P06493 1/20 0.45
▸ CCNB1 P14635 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ RPS6KA3 P51812 5/20 0.44
▸ FYN P06241 2/20 0.44
▸ VCP P55072 2/20 0.44
▸ YES1 P07947 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ EPHA2 P29317 1/20 0.41
▸ RET P07949 4/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ TP53 P04637 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
SCHEMBL7699720 0.89 CDK1 (0.46) KDM4EMAPK1TSHRHTTHSD17B10
SCHEMBL8991251 0.79 KDM4E (0.49) KDM4EMAPK1TSHRHTTHSD17B10
SCHEMBL7702669 0.78 DYRK1A (0.57) KDM4EMAPK1TSHRHTTHSD17B10
SCHEMBL7696404 0.77 ADORA2A (0.54) KDM4EMAPK1TSHRHTTHSD17B10
SCHEMBL8991261 0.76 KDM4E (0.49) KDM4EMAPK1TSHRHTTHSD17B10
SCHEMBL30582626 0.74 DYRK1A (0.55) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL7695931 0.74 ADK (0.46) KDM4EMAPK1TSHRHTTHSD17B10
SCHEMBL8990998 0.70 LRRK2 (0.56) KDM4EMAPK1TSHRHTTHSD17B10
SCHEMBL7698505 0.69 FYN (0.39) KDM4EMAPK1TSHRHTTHSD17B10
SCHEMBL8991031 0.69 KDM4E (0.41) KDM4EMAPK1TSHRHTTHSD17B10

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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