SCHEMBL3522707

SCHEMBL3522707

CN(C)C(=O)/C=C/c1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)s1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.63
DKK1 O94907 2/20 0.63
GSK3B P49841 2/20 0.63
CDK2 P24941 6/20 0.58
CCNT1 O60563 5/20 0.58
CDK1 P06493 5/20 0.58
CCNB1 P14635 5/20 0.58
CDK9 P50750 5/20 0.58
CCNA2 P20248 4/20 0.58
CDK7 P50613 4/20 0.58
CCNH P51946 4/20 0.58
CCNA1 P78396 4/20 0.58
MAPK8 P45983 1/20 0.49
MAPK10 P53779 1/20 0.49
CDK4 P11802 1/20 0.46
MTOR P42345 1/20 0.45
SMG1 Q96Q15 1/20 0.45

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
SCHEMBL3522711 1.00 IKBKB (0.63) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL3520687 0.88 IKBKB (0.65) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL3520694 0.88 IKBKB (0.65) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL3517546 0.82 IKBKB (0.73) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL3524321 0.79 IKBKB (0.57) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL3524326 0.79 IKBKB (0.57) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL3523238 0.76 IKBKB (0.71) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL3516308 0.75 IKBKB (0.76) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL3520298 0.75 IKBKB (0.76) IKBKBDKK1GSK3BCDK2CCNT1
SCHEMBL3516379 0.74 IKBKB (0.71) IKBKBDKK1GSK3BCDK2CCNT1

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
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US claimed