SCHEMBL5553085

SCHEMBL5553085

COc1ccc(C(c2ccccc2N)c2nc(Cl)nc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.46
PDGFRB P09619 2/20 0.46
KDR P35968 2/20 0.46
ADORA2A P29274 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
GAA P10253 2/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
AR P10275 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39

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
SCHEMBL5553117 0.84 EGFR (0.34) EGFRPDGFRBKDRTUBB4ATUBB
SCHEMBL1685039 0.80 EGFR (0.52) EGFRPDGFRBKDRADORA2ACYP1A2
Hydrochloric Acid SCHEMBL1685079 0.79 EGFR (0.51) EGFRPDGFRBKDRADORA2ACYP1A2
SCHEMBL5559420 0.76 EDNRA (0.47) CYP1A2CYP2C9CYP2C19KMT2ATP53
SCHEMBL3119434 0.73 MEN1 (0.45) EGFRPDGFRBKDRGAATUBB4A
SCHEMBL3113186 0.72 EGFR (0.49) EGFRPDGFRBKDRADORA2ACYP1A2
SCHEMBL3113281 0.71 ADORA2A (0.42) EGFRPDGFRBKDRADORA2APOLB
SCHEMBL3110824 0.71 EGFR (0.44) EGFRPDGFRBKDRGAATUBB4A
SCHEMBL5552956 0.71 KDM1A (0.41) CYP1A2GAAPOLBAPPKDM1A
SCHEMBL3106572 0.70 KDM4E (0.46) CYP1A2GAAPOLBCYP2C9CYP2C19

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-1833511-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2007-09-19 EP disclosed
WO-2006074187-A2 METHOD OF TREATING BRAIN CANCER MYRIAD GENETICS, INC. (US) 2006-07-13 WO disclosed