SCHEMBL2565495

SCHEMBL2565495

O=C(NOCCN1CCOCC1)Oc1oc2ccncc2c1Nc1ccc(I)cc1F

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.57
MAP2K2 P36507 2/20 0.42
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
CYP2C9 P11712 3/20 0.40
KCNH2 Q12809 3/20 0.39
CYP2C19 P33261 2/20 0.39
CSF1R P07333 1/20 0.38
CYP3A4 P08684 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
SCHEMBL2565518 0.93 MAP2K1 (0.58) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19
SCHEMBL2569242 0.88 MAP2K1 (0.75) MAP2K1MAP2K2PIK3CDPIK3R1PIK3CA
SCHEMBL2565216 0.86 MAP2K1 (0.75) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19
SCHEMBL2566733 0.83 MAP2K1 (0.61) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19
SCHEMBL2563901 0.83 MAP2K1 (0.60) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19
SCHEMBL2567945 0.83 MAP2K1 (0.57) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19
SCHEMBL2563969 0.82 MAP2K1 (0.77) MAP2K1MAP2K2
SCHEMBL2562947 0.81 MAP2K1 (0.59) MAP2K1MAP2K2CYP2C9KCNH2CYP2C19
SCHEMBL2567751 0.81 MAP2K1 (0.63) MAP2K1MAP2K2KCNH2
SCHEMBL2568879 0.81 MAP2K1 (0.63) MAP2K1MAP2K2KCNH2

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