SCHEMBL5813771

SCHEMBL5813771

Cc1cccc(-c2ncsc2-c2ccnc(NC3CCCC3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.50
CDK1 P06493 6/20 0.47
CCNB1 P14635 6/20 0.47
CDK4 P11802 5/20 0.47
CCND1 P24385 4/20 0.47
CCNA2 P20248 4/20 0.47
CDK2 P24941 4/20 0.47
CCNA1 P78396 3/20 0.47
EIF2AK2 P19525 2/20 0.42
CCNB2 O95067 3/20 0.41
CCNB3 Q8WWL7 3/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
RET P07949 1/20 0.41
BRAF P15056 1/20 0.41
CDC7 O00311 1/20 0.41
PLK4 O00444 1/20 0.41
JAK2 O60674 1/20 0.41

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
SCHEMBL5818867 0.99 MAPK14 (0.49) MAPK14CDK1CCNB1CDK4CCND1
SCHEMBL5813443 0.96 MAPK14 (0.45) MAPK14CDK1CCNB1CDK4CCND1
SCHEMBL5816324 0.88 BRAF (0.49) CDK1CCNB1CDK4CCND1CCNA2
SCHEMBL5823374 0.88 ADORA1 (0.53) CDK1CCNB1CDK4CCND1CCNA2
SCHEMBL5819449 0.87 ADORA1 (0.52) MAPK14CDK1CCNB1CDK4CCND1
SCHEMBL5811808 0.87 BRAF (0.48) CDK1CCNB1CDK4CCND1CCNA2
SCHEMBL5814307 0.85 MAPK9 (0.46) MAPK14CCNA2CDK2BRAFPIM1
SCHEMBL5814670 0.83 ADORA1 (0.47) CCNA2CDK2EIF2AK2ADORA1BRAF
SCHEMBL5813505 0.83 BRAF (0.52) MAPK14CDK4CCNA2CDK2BRAF
SCHEMBL5819338 0.81 MAPK13 (0.48) MAPK14CDK1CCNB1CDK4CCND1

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
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
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 disclosed