SCHEMBL14489490

SCHEMBL14489490

Cc1ccc(Nc2c(C(=O)NOCC3CC3)cn3c(N4CCN(C)CC4)cnc3c2Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 9/20 0.49
CSNK2A2 P19784 2/20 0.42
MAP2K2 P36507 2/20 0.42
RAF1 P04049 1/20 0.42
PDGFRB P09619 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
AURKC Q9UQB9 1/20 0.42
CAMK2A Q9UQM7 1/20 0.42
CSF1R P07333 5/20 0.39
KCNH2 Q12809 3/20 0.38
SCN5A Q14524 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMC2 O95347 1/20 0.34
EGFR P00533 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
SCHEMBL3971622 0.93 MAP2K1 (0.54) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB
SCHEMBL14489498 0.92 MAP2K1 (0.47) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB
SCHEMBL5406685 0.86 MAP2K1 (0.52) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB
SCHEMBL14489487 0.85 MAP2K1 (0.50) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB
SCHEMBL3973115 0.84 MAP2K1 (0.51) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB
SCHEMBL15088154 0.84 MAP2K1 (0.51) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB
SCHEMBL14499985 0.84 MAP2K1 (0.43) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB
SCHEMBL13918214 0.82 MAP2K1 (0.53) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB
SCHEMBL3973358 0.82 MAP2K1 (0.53) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB
SCHEMBL3979022 0.81 MAP2K1 (0.57) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB

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-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed