SCHEMBL5819449

SCHEMBL5819449

Clc1cccc(-c2ncsc2-c2ccnc(NC3CCCCC3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.52
MAPK10 P53779 4/20 0.46
MAPK8 P45983 3/20 0.46
MAPK9 P45984 3/20 0.46
EIF2AK2 P19525 1/20 0.46
MAPK1 P28482 3/20 0.45
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
IKBKB O14920 2/20 0.43
PLK1 P53350 1/20 0.42
CDK1 P06493 4/20 0.42
CCNB1 P14635 3/20 0.42
CCNB2 O95067 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
PLK4 O00444 2/20 0.42
PIM1 P11309 2/20 0.42
PRKACA P17612 2/20 0.42
KDR P35968 2/20 0.42
FLT3 P36888 2/20 0.42
GSK3B P49841 2/20 0.42

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
SCHEMBL5823374 0.99 ADORA1 (0.53) ADORA1MAPK10MAPK8MAPK9EIF2AK2
SCHEMBL5814670 0.95 ADORA1 (0.47) ADORA1MAPK10MAPK8MAPK9EIF2AK2
SCHEMBL5818867 0.88 MAPK14 (0.49) ADORA1MAPK10EIF2AK2CDK1CCNB1
SCHEMBL5811808 0.88 BRAF (0.48) MAPK10MAPK8MAPK9MAPK1CDK1
SCHEMBL5813771 0.87 MAPK14 (0.50) ADORA1MAPK10EIF2AK2MAPK1CDK1
SCHEMBL5816324 0.87 BRAF (0.49) MAPK10EIF2AK2MAPK1CDK1CCNB1
SCHEMBL3619159 0.85 ADORA1 (0.59) ADORA1MAPK10MAPK8MAPK9EIF2AK2
SCHEMBL1030530 0.85 ADORA1 (0.59) ADORA1MAPK10MAPK8MAPK9EIF2AK2
SCHEMBL5814307 0.84 MAPK9 (0.46) MAPK9MAPK1PIM1GSK3BCDK2
SCHEMBL5815500 0.84 TGFBR1 (0.54) ADORA1MAPK10MAPK8MAPK9EIF2AK2

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