SCHEMBL27747206

SCHEMBL27747206

NCc1ccc(NC(=O)Nc2ccc(-c3cc(CN4CCOCC4)n4ncnc(N)c34)cc2)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 8/20 0.70
MERTK Q12866 2/20 0.54
FLT3 P36888 5/20 0.45
KDR P35968 4/20 0.45
KIT P10721 3/20 0.45
TEK Q02763 1/20 0.43
IKBKE Q14164 1/20 0.41
DDR1 Q08345 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
MTOR P42345 1/20 0.41
AXL P30530 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
Trifluoroacetic Acid SCHEMBL27747125 0.95 ACVRL1 (0.63) ACVRL1MERTKFLT3KDRKIT
SCHEMBL58954 0.91 ACVRL1 (0.64) ACVRL1MERTKFLT3KDRKIT
SCHEMBL58056 0.86 ACVRL1 (0.61) ACVRL1MERTKFLT3KDRKIT
Hydrochloric Acid SCHEMBL27768114 0.86 ACVRL1 (0.63) ACVRL1MERTKFLT3KDRKIT
Trifluoroacetic Acid SCHEMBL841675 0.86 ACVRL1 (0.58) ACVRL1MERTKFLT3KDRKIT
SCHEMBL59783 0.85 ACVRL1 (0.66) ACVRL1MERTKFLT3KDRKIT
SCHEMBL59333 0.85 ACVRL1 (0.62) ACVRL1MERTKFLT3KDRKIT
SCHEMBL59916 0.85 ACVRL1 (0.66) ACVRL1MERTKFLT3KDRKIT
SCHEMBL65790 0.84 ACVRL1 (0.63) ACVRL1MERTKFLT3KDRKIT
SCHEMBL878975 0.83 ACVRL1 (0.63) ACVRL1MERTKFLT3KDRKIT

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
CN-101466710-A Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2009-06-24 CN disclosed