SCHEMBL8168166

SCHEMBL8168166

Cc1cc(Br)ccc1Nc1c(C(=O)NCCN2CCOCC2)ccc(F)c1F.Cc1cc(I)ccc1Nc1c(F)cccc1C(=O)NCCN1CCCC1.Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NCCc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL3 P20749 6/20 0.43
KMT2A Q03164 1/20 0.39
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
MAP2K1 Q02750 5/20 0.37
MAP2K2 P36507 4/20 0.37
PDGFRB P09619 2/20 0.37
KIT P10721 2/20 0.37
KDR P35968 2/20 0.37
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
HTT P42858 1/20 0.36
WNT1 P04628 1/20 0.35
DYRK1A Q13627 1/20 0.35
LMNA P02545 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
SCHEMBL7804383 0.91 KMT2A (0.46) BCL3KMT2AJAK1TYK2MAP2K1
SCHEMBL6036263 0.79 LMNA (0.52) BCL3LMNA
SCHEMBL6035215 0.79 MAP2K2 (0.56) BCL3KMT2AMAP2K1MAP2K2HTT
SCHEMBL6035456 0.78 MAP2K1 (0.46) MAP2K1MAP2K2LMNA
SCHEMBL6035287 0.78 BCL3 (0.59) BCL3KMT2AJAK1TYK2PDGFRB
SCHEMBL6035847 0.77 NPC1 (0.46) KMT2AMAP2K1MAP2K2LMNA
SCHEMBL6036153 0.77 MAP2K1 (0.47) MAP2K1MAP2K2
SCHEMBL6035749 0.77 MAP2K1 (0.59) KMT2AMAP2K1MAP2K2PDGFRB
SCHEMBL8169156 0.76 KMT2A (0.56) BCL3KMT2APDGFRBKITKDR
SCHEMBL6035396 0.76 MAP2K1 (0.47) KMT2AMAP2K1MAP2K2

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-2000037141-A9 COMBINATION CHEMOTHERAPY WARNER LAMBERT CO (US) 2000-12-07 WO disclosed