SCHEMBL13842002

SCHEMBL13842002

O=C(NOCCO)c1cn2c(CN3CCCCC3)cnc2c(Cl)c1Nc1ccc(Br)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.50
MAP2K2 P36507 3/20 0.49
SMC2 O95347 1/20 0.49
EGFR P00533 1/20 0.49
CSNK2A2 P19784 1/20 0.49
SMC1A Q14683 1/20 0.49
AAK1 Q2M2I8 1/20 0.49
Q6ZSR9 Q6ZSR9 1/20 0.49
BMP2K Q9NSY1 1/20 0.49
ABCB11 O95342 1/20 0.40
NQO2 P16083 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5406502 0.93 MAP2K1 (0.49) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL15088158 0.87 MEN1 (0.44) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL3968996 0.86 MEN1 (0.45) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL14499996 0.86 MAP2K1 (0.48) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL13841975 0.85 MAP2K1 (0.57) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL3973358 0.84 MAP2K1 (0.53) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL5401946 0.82 MAP2K1 (0.49) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL3974326 0.82 MAP2K1 (0.49) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL5331353 0.80 POLB (0.39) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL3973143 0.80 MAP2K1 (0.47) MAP2K1MAP2K2SMC2EGFRCSNK2A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673339-B1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2013-07-03 EP disclosed
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US disclosed
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US disclosed
US-7511058-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-03-31 US disclosed
US-7511058-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-03-31 US disclosed
US-7271178-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-09-18 US disclosed
US-7271178-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-09-18 US disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
WO-2007022529-A2 METHOD OF TREATING INFLAMMATORY DISEASES ARRAY BIOPHARMA INC. (US) 2007-02-22 WO disclosed