SCHEMBL3524787

SCHEMBL3524787

COc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)CCN4CCOCC4)cc3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.61
CHUK O15111 1/20 0.60
JAK2 O60674 8/20 0.57
CDK4 P11802 1/20 0.57
CDK2 P24941 1/20 0.57
JAK3 P52333 4/20 0.54
PIK3CA P42336 2/20 0.53
PIK3CB P42338 2/20 0.53
PIK3CG P48736 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CCNT1 O60563 1/20 0.51
CDK9 P50750 1/20 0.51
SMG1 Q96Q15 1/20 0.49

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
SCHEMBL3518688 0.91 IKBKB (0.63) IKBKBCHUKJAK2JAK3PIK3CA
SCHEMBL3520471 0.88 IKBKB (0.59) IKBKBCHUKJAK2CDK4CDK2
SCHEMBL3519683 0.87 CDK4 (0.53) IKBKBCHUKJAK2CDK4CDK2
SCHEMBL3516458 0.86 POLB (0.59) IKBKBCHUKJAK2CDK4CDK2
SCHEMBL4383503 0.80 JAK2 (0.73) JAK2CDK2JAK3PIK3CAPIK3CB
SCHEMBL11531177 0.79 KMT2A (0.67) MEN1KMT2A
SCHEMBL3521975 0.79 POLB (0.54) IKBKBCHUKJAK2CDK4CDK2
SCHEMBL3522502 0.79 IKBKB (0.66) IKBKBCHUKCDK4CDK2PIK3CA
SCHEMBL3522456 0.79 IKBKB (0.73) IKBKBCHUKPIK3CAPIK3CBPIK3CG
SCHEMBL3516669 0.78 JAK2 (0.49) IKBKBCHUKJAK2CDK4CDK2

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