SCHEMBL3386451

SCHEMBL3386451

CCCc1cnc(NC(=O)NCc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2)s1.CS(=O)(=O)O

nearest known ligand 0.47

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 7)

geneUniProtsupporting neighboursconfidence
KDR known ✓ P35968 14/20 0.47
PIK3CA known ✓ P42336 1/20 0.40
ABL1 known ✓ P00519 1/20 0.39
FGFR3 P22607 9/20 0.47
FLT3 P36888 2/20 0.46
MTOR P42345 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40

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
SCHEMBL3382607 0.87 FLT3 (0.46) KDRFGFR3FLT3PIK3CAMTOR
SCHEMBL3384517 0.86 KDR (0.51) KDRFGFR3FLT3
SCHEMBL3380736 0.83 KDR (0.50) KDRFGFR3FLT3ATG4B
SCHEMBL3385635 0.83 FLT3 (0.49) KDRFGFR3FLT3PIK3CAMTOR
SCHEMBL3385831 0.83 KDR (0.48) KDRFGFR3FLT3ATG4BABL1
SCHEMBL3385484 0.81 KDR (0.47) KDRFGFR3FLT3
SCHEMBL3386453 0.81 FLT3 (0.43) KDRFGFR3FLT3PIK3CAMTOR
SCHEMBL3384408 0.80 KDR (0.50) KDRFGFR3FLT3
SCHEMBL3386064 0.78 FLT3 (0.51) KDRFGFR3FLT3ATG4B
SCHEMBL3383685 0.78 KDR (0.49) KDRFGFR3

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