SCHEMBL5814307

SCHEMBL5814307

FC(F)(F)c1cccc(-c2ncsc2-c2ccnc(NC3CCCC3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 5/20 0.46
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
RPS6KA3 P51812 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CTSC P53634 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
MAPK3 P27361 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPK13 O15264 7/20 0.41
MAPK12 P53778 7/20 0.41
MAPK11 Q15759 7/20 0.41
MAPK14 Q16539 7/20 0.41
RAF1 P04049 2/20 0.41
PIM1 P11309 2/20 0.40
GSK3B P49841 1/20 0.40
BRAF P15056 1/20 0.40

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
SCHEMBL5816324 0.87 BRAF (0.49) KDM4ETP53MAPTCCNA2CDK2
SCHEMBL5811808 0.86 BRAF (0.48) MAPK9TP53MAPTCCNA2CDK2
SCHEMBL5813771 0.85 MAPK14 (0.50) KDM4ECCNA2CDK2MAPK3MAPK1
SCHEMBL5823374 0.85 ADORA1 (0.53) MAPK9CCNA2CDK2MAPK3MAPK1
SCHEMBL5819449 0.84 ADORA1 (0.52) MAPK9CSNK1DCCNA2CDK2MAPK3
SCHEMBL5818867 0.84 MAPK14 (0.49) KDM4ECCNA2CDK2MAPK14PIM1
SCHEMBL5813505 0.83 BRAF (0.52) MAPK9CCNA2CDK2MAPK3MAPK1
SCHEMBL5812949 0.81 MAPK13 (0.46) MAPK9CSNK1A1CSNK1DRPS6KA3KDM4E
SCHEMBL5814670 0.81 ADORA1 (0.47) MAPK9CCNA2CDK2MAPK3MAPK1
SCHEMBL5813443 0.81 MAPK14 (0.45) MAPK9CCNA2CDK2MAPK3MAPK1

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
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO claimed