SCHEMBL5815307

SCHEMBL5815307

CC(C)(C)OC(=O)N1CCC(O)(c2nc(-c3ccccc3F)c(-c3ccnc(NC4CC4)n3)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.40
IDH2 P48735 1/20 0.40
CDK2 P24941 4/20 0.39
CCNA2 P20248 3/20 0.39
CCNT1 O60563 2/20 0.39
CDK9 P50750 1/20 0.39
CCNA1 P78396 1/20 0.39
CDK1 P06493 2/20 0.37
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
ADORA2A P29274 1/20 0.37
SYK P43405 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
DYRK2 Q92630 2/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
GAS6 Q14393 1/20 0.36
HDAC3 O15379 1/20 0.36

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
SCHEMBL5819146 0.97 DYRK2 (0.39) IDH1IDH2CDK2CCNA2CCNT1
SCHEMBL5812749 0.96 DYRK2 (0.39) IDH1IDH2CDK2CCNA2CCNT1
SCHEMBL5817914 0.88 PRKD3 (0.44) IDH1IDH2CDK2SYKDYRK2
SCHEMBL5818628 0.87 BRAF (0.47) IDH1IDH2CDK2CCNA2CCNT1
SCHEMBL5816960 0.86 CDK2 (0.40) IDH1IDH2CDK2CCNA2CCNT1
SCHEMBL5819362 0.86 IKBKB (0.41) CDK2CCNA2CCNT1CDK9CCNA1
SCHEMBL5813784 0.85 DYRK2 (0.43) CDK2CCNA2CDK1CDK4CCND1
Cyclopentane SCHEMBL5824094 0.85 SYK (0.36) CDK2CCNA2CCNT1CDK9CCNA1
SCHEMBL5814884 0.85 SYK (0.40) IDH1IDH2CDK2CCNA2SYK
SCHEMBL5818721 0.85 DYRK2 (0.43) CDK2CCNA2CDK1CDK4CCND1

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