SCHEMBL4735595

SCHEMBL4735595

COc1cc(Cl)c(-c2nc(NC(=O)C(C)(C)C)nc3sccc23)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.36
MAPT P10636 4/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CFTR P13569 6/20 0.34
ALDH1A1 P00352 1/20 0.34
NR2F2 P24468 1/20 0.34
ADORA1 P30542 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 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
SCHEMBL14207912 0.77 MEN1 (0.37) MEN1KMT2AHSP90AA1ADORA1
SCHEMBL4734189 0.74 KMT2A (0.46) KDRMEN1KMT2APOLBMAPT
SCHEMBL4735176 0.73 ADORA1 (0.43) KDRMEN1KMT2APOLBMAPT
SCHEMBL14208218 0.68 HSP90AA1 (0.37) MEN1KMT2APOLBHSP90AA1KDM4E
SCHEMBL4735390 0.64 MEN1 (0.36) KDRMEN1KMT2APOLBHSP90AA1
SCHEMBL14254903 0.60 TSHR (0.68) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL30540534 0.59 NQO2 (0.43) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL5226002 0.59 TDP1 (0.54) MEN1KMT2AMAPTLMNAHTT
SCHEMBL344338 0.59 GRM4 (0.57) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL10769731 0.58 KDM4E (0.48) MEN1KMT2APOLBMAPTLMNA

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
WO-2008059368-A2 FUSED 2-AMINO PYRIMIDINE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2008-05-22 WO disclosed