SCHEMBL5819246

SCHEMBL5819246

CN1CCC(O)(c2nc(-c3cccc(C(F)(F)F)c3)c(-c3ccnc(NC4CCCCC4)n3)s2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.60
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
RPS6KA3 P51812 1/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNT1 O60563 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCND3 P30281 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
CCNH P51946 1/20 0.42
CDK6 Q00534 1/20 0.42
IDH2 P48735 1/20 0.40
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 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
SCHEMBL5817940 0.99 MAPK9 (0.61) MAPK9CSNK1A1CSNK1DRPS6KA3CCNA2
SCHEMBL5813665 0.96 MAPK9 (0.57) MAPK9CSNK1A1CSNK1DRPS6KA3CCNA2
SCHEMBL5819379 0.90 MAPK9 (0.48) MAPK9CCNA2CDK2CCNT1CDK1
SCHEMBL5819550 0.89 MAPK9 (0.47) MAPK9CSNK1A1CSNK1DRPS6KA3CCNA2
SCHEMBL5818779 0.89 MAPK9 (0.48) MAPK9CCNA2CDK2CCNT1CDK1
SCHEMBL5819777 0.89 MAPK9 (0.50) MAPK9CCNA2CDK2CCNT1CDK1
SCHEMBL5819553 0.88 MAPK9 (0.48) MAPK9CSNK1A1CSNK1DRPS6KA3CCNA2
SCHEMBL5818423 0.88 MAPK9 (0.46) MAPK9CCNA2CDK2CCNT1CDK1
SCHEMBL5812748 0.88 MAPK9 (0.51) MAPK9CCNA2CDK2CCNT1CDK1
SCHEMBL5813407 0.88 MAPK9 (0.48) MAPK9CSNK1A1CSNK1DRPS6KA3CCNA2

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