SCHEMBL4555720

SCHEMBL4555720

CC(=O)n1ncc2c(N)cc(Cl)cc21.CC(=O)n1ncc2c([N+](=O)[O-])cc(Cl)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.64
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
CSNK1A1 P48729 1/20 0.39
GSK3A P49840 1/20 0.39
LIMK1 P53667 1/20 0.39
IKBKE Q14164 1/20 0.39
MAPK14 Q16539 1/20 0.39
TAOK1 Q7L7X3 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
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
SCHEMBL3592818 0.93 CREBBP (0.73) CREBBPCHEK1AURKADAPK3CSNK1A1
SCHEMBL3608159 0.87 CHEK1 (0.48) CREBBPCHEK1AURKADAPK3CSNK1A1
SCHEMBL14272018 0.78 CREBBP (0.75) CREBBPCHEK1AURKADAPK3CSNK1A1
SCHEMBL3603944 0.72 IKBKE (0.49) CREBBPCHEK1AURKADAPK3CSNK1A1
SCHEMBL1100436 0.71 CREBBP (0.64) CREBBPCHEK1AURKADAPK3CSNK1A1
SCHEMBL12499174 0.70 CREBBP (0.45) CREBBPCHEK1AURKADAPK3CSNK1A1
SCHEMBL13462503 0.69 CREBBP (0.44) CREBBPCHEK1AURKADAPK3CSNK1A1
SCHEMBL15491013 0.67 CREBBP (0.42) CREBBPCHEK1AURKADAPK3CSNK1A1
SCHEMBL11485102 0.65 CREBBP (0.56) CREBBPCHEK1AURKADAPK3CSNK1A1
SCHEMBL30861109 0.65 VCAM1 (0.38) CREBBPALDH1A1CYP3A4MITFLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057168-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO disclosed