SCHEMBL3385682

SCHEMBL3385682

CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cnc4cc(-c5cccnc5)ccn34)cc2)no1.CS(=O)(=O)O

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR known ✓ P35968 2/20 0.51
PIK3CA known ✓ P42336 1/20 0.48
PDGFRB known ✓ P09619 1/20 0.47
KIT known ✓ P10721 1/20 0.47
FLT3 P36888 9/20 0.54
FGFR3 P22607 1/20 0.51
MTOR P42345 1/20 0.48
RAF1 P04049 5/20 0.48
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
PDGFRA P16234 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
RIPK1 Q13546 1/20 0.46
RIPK2 O43353 1/20 0.46
MAPK14 Q16539 1/20 0.46

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
SCHEMBL3381854 0.89 NPC1 (0.49) FLT3KDRFGFR3PIK3CAMTOR
SCHEMBL3386414 0.88 RAF1 (0.58) FLT3KDRFGFR3RAF1CSF1R
SCHEMBL3383492 0.87 FLT3 (0.50) FLT3KDRRAF1CSF1RRET
SCHEMBL3380805 0.84 FLT3 (0.57) FLT3KDRFGFR3RAF1CSF1R
SCHEMBL3385510 0.83 MAPK14 (0.48) FLT3KDRRAF1CSF1RRET
SCHEMBL3385688 0.83 PIK3CA (0.46) FLT3KDRFGFR3PIK3CAMTOR
SCHEMBL3197428 0.81 FLT3 (0.47) FLT3KDRFGFR3RAF1CSF1R
SCHEMBL3385873 0.80 FLT3 (0.49) FLT3KDRRAF1CSF1RRET
SCHEMBL3382975 0.80 FLT3 (0.49) FLT3KDRRAF1CSF1RMEN1
SCHEMBL3189927 0.79 KDR (0.57) FLT3KDRFGFR3RAF1CSF1R

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
EP-1904494-B1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS LILLY CO ELI (US) 2010-12-01 EP disclosed