SCHEMBL15463541

SCHEMBL15463541

Cc1c(Nc2ccc(Cl)cc2Cl)c(OC(=O)NOCCO)cn(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.49
MAP2K2 P36507 3/20 0.40
SMC2 O95347 1/20 0.40
EGFR P00533 1/20 0.40
CSNK2A2 P19784 1/20 0.40
SMC1A Q14683 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
Q6ZSR9 Q6ZSR9 1/20 0.40
BMP2K Q9NSY1 1/20 0.40
CSF1R P07333 1/20 0.35
MAP2K5 Q13163 1/20 0.35
EIF2AK1 Q9BQI3 1/20 0.35
POLB P06746 1/20 0.34
GALR3 O60755 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL15463526 0.91 MAP2K1 (0.59) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL388146 0.85 MAP2K1 (0.68) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL15463478 0.83 MAP2K1 (0.61) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL15463501 0.81 MAP2K1 (0.59) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL15463553 0.81 MAP2K1 (0.74) MAP2K1MAP2K2
SCHEMBL15463485 0.76 MAP2K1 (0.45) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL392844 0.76 MAP2K1 (0.80) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL393777 0.76 MAP2K1 (0.80) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL4429029 0.75 MAP2K1 (0.64) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL393931 0.75 MAP2K1 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251327-B1 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2014-02-12 EP claimed