SCHEMBL5553117

SCHEMBL5553117

COc1ccc(C(c2ccccc2N)c2nc(Cl)nc3ccccc23)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.34
PDGFRB P09619 2/20 0.34
KDR P35968 2/20 0.34
GBA1 P04062 1/20 0.33
ACP1 P24666 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KDM1A O60341 1/20 0.32
HRH1 P35367 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 2/20 0.32
CHRNA7 P36544 1/20 0.31
KAT2B Q92831 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TUBB4A P04350 1/20 0.31

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
SCHEMBL5553085 0.84 EGFR (0.46) EGFRPDGFRBKDRKMT2AKDM1A
SCHEMBL3110678 0.82 EGFR (0.38) EGFRPDGFRBKDRGBA1ACP1
SCHEMBL5559420 0.72 EDNRA (0.47) KMT2AMEN1USP2
SCHEMBL3122392 0.69 KRAS (0.38) EGFRPDGFRBKDRACP1KMT2A
SCHEMBL19806090 0.68 KDM4E (0.58) EGFRPDGFRBKDRACP1KMT2A
SCHEMBL3113281 0.68 ADORA2A (0.42) EGFRPDGFRBKDRKMT2AALDH1A1
SCHEMBL1685039 0.67 EGFR (0.52) EGFRPDGFRBKDRKMT2AKDM1A
SCHEMBL3118700 0.67 NUDT1 (0.40) ACP1KMT2AMEN1USP2KDM1A
SCHEMBL3110407 0.67 KDM1A (0.41) ACP1KMT2AMEN1USP2KDM1A
Hydrochloric Acid SCHEMBL1685079 0.66 EGFR (0.51) EGFRPDGFRBKDRKMT2AMEN1

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