SCHEMBL2562947

SCHEMBL2562947

CS(=O)(=O)NCCONC(=O)Oc1oc2ccncc2c1Nc1ccc(I)cc1F

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.59
PIM1 P11309 1/20 0.42
CAMK2B Q13554 1/20 0.42
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 2/20 0.38
KCNH2 Q12809 2/20 0.38
MAP2K2 P36507 1/20 0.38
CYP3A4 P08684 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
SCHEMBL2565216 0.88 MAP2K1 (0.75) MAP2K1CYP2C9CYP2C19KCNH2MAP2K2
SCHEMBL2566164 0.87 MAP2K1 (0.77) MAP2K1PIM1CAMK2BCYP2C9CYP2C19
SCHEMBL2566733 0.86 MAP2K1 (0.61) MAP2K1PIM1CAMK2BCYP2C9CYP2C19
SCHEMBL2563901 0.84 MAP2K1 (0.60) MAP2K1PIM1CAMK2BCYP2C9CYP2C19
SCHEMBL2567751 0.84 MAP2K1 (0.63) MAP2K1KCNH2MAP2K2
SCHEMBL2568830 0.84 MAP2K1 (0.63) MAP2K1KCNH2MAP2K2
SCHEMBL2568879 0.84 MAP2K1 (0.63) MAP2K1KCNH2MAP2K2
SCHEMBL2567945 0.82 MAP2K1 (0.57) MAP2K1CYP2C9CYP2C19KCNH2MAP2K2
SCHEMBL2565518 0.82 MAP2K1 (0.58) MAP2K1CYP2C9CYP2C19KCNH2MAP2K2
SCHEMBL2563969 0.82 MAP2K1 (0.77) MAP2K1MAP2K2

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
EP-2069354-B1 Aza-benzofuranyl compounds and methods of use GENENTECH INC (US) 2011-11-02 EP claimed