SCHEMBL5818359

SCHEMBL5818359

OC1(c2nc(-c3cccc(F)c3)c(-c3ccnc(NCCc4ccccc4)n3)s2)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
BRAF P15056 8/20 0.41
RAF1 P04049 3/20 0.41
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
MAPK14 Q16539 2/20 0.38
AKT3 Q9Y243 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL5819871 0.90 AKT3 (0.41) KCNH2BRAFRAF1CCNT1CCNA2
SCHEMBL5818352 0.84 CCNT1 (0.44) KCNH2BRAFRAF1CCNT1CCNA2
SCHEMBL5815121 0.83 BRAF (0.50) KCNH2BRAFRAF1MAPK14
SCHEMBL5819170 0.83 CAMK2D (0.47) RAF1MAPK14
SCHEMBL5819126 0.83 CCNT1 (0.43) BRAFRAF1CCNT1CCNA2CDK2
SCHEMBL5814974 0.82 BRAF (0.47) KCNH2BRAFRAF1
SCHEMBL5814640 0.81 BRAF (0.47) KCNH2BRAFRAF1CDK2MAPK14
SCHEMBL5819537 0.80 MAPK14 (0.50) BRAFRAF1MAPK14
SCHEMBL5819459 0.80 KCNH2 (0.49) KCNH2
SCHEMBL5818795 0.79 HRH4 (0.43) BRAFRAF1MAPK14

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