SCHEMBL5818802

SCHEMBL5818802

CC1CCN(c2nc(-c3cccc(C(F)(F)F)c3)c(-c3ccnc(NC4CCCC4)n3)s2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 5/20 0.50
MAPK12 P53778 5/20 0.50
MAPK11 Q15759 5/20 0.50
MAPK14 Q16539 5/20 0.50
MAPK9 P45984 2/20 0.45
BRAF P15056 1/20 0.42
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
RPS6KA3 P51812 1/20 0.41
CTSC P53634 1/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
RIPK2 O43353 1/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CCNT1 O60563 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 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
SCHEMBL5816128 0.99 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5818729 0.97 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5812949 0.93 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5818977 0.91 MAPK9 (0.50) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5813677 0.90 KCNH2 (0.49) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5819878 0.89 PRKD1 (0.49) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5818887 0.89 BRAF (0.50) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5819038 0.88 BRAF (0.49) MAPK14BRAFTP53MAPTRIPK2
SCHEMBL5818908 0.88 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14MAPK9
SCHEMBL5817861 0.88 MAPK14 (0.50) MAPK14BRAFRIPK2CCNA2CDK2

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