SCHEMBL5818908

SCHEMBL5818908

CN1CCN(c2nc(-c3cccc(C(F)(F)F)c3)c(-c3ccnc(NC4CC4)n3)s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.49
MAPK13 O15264 2/20 0.49
MAPK12 P53778 2/20 0.49
MAPK11 Q15759 2/20 0.49
MAPK9 P45984 1/20 0.46
IDH2 P48735 1/20 0.44
BRAF P15056 1/20 0.44
CDK4 P11802 2/20 0.44
CCND3 P30281 2/20 0.44
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CCNT1 O60563 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CCNH P51946 1/20 0.44
CDK6 Q00534 1/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL5818977 0.96 MAPK9 (0.50) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5818729 0.92 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5815108 0.90 KCNH2 (0.49) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5812949 0.89 MAPK13 (0.46) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5818597 0.89 BRAF (0.53) BRAFCCNA2CDK2IKBKBHRH4
SCHEMBL5818802 0.88 MAPK13 (0.50) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5813776 0.88 MAPK14 (0.45) MAPK14BRAFCDK4CCND3CCNA2
SCHEMBL5816128 0.88 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5813699 0.87 SYK (0.46) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5813677 0.87 KCNH2 (0.49) MAPK14MAPK13MAPK12MAPK11MAPK9

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 disclosed