SCHEMBL2586122

SCHEMBL2586122

[NH]c1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.74
KDR P35968 7/20 0.74
NTRK1 P04629 2/20 0.74
TEK Q02763 2/20 0.74
NTRK3 Q16288 1/20 0.74
NTRK2 Q16620 1/20 0.74
AXL P30530 11/20 0.52
MERTK Q12866 8/20 0.52
RET P07949 2/20 0.52
KIT P10721 2/20 0.52
FLT3 P36888 2/20 0.52
AURKA O14965 1/20 0.52
RIPK2 O43353 1/20 0.52
ABCB11 O95342 1/20 0.52
ABL1 P00519 1/20 0.52
EGFR P00533 1/20 0.52
ERBB2 P04626 1/20 0.52
LCK P06239 1/20 0.52
PGR P06401 1/20 0.52
LYN P07948 1/20 0.52

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
SCHEMBL139114 0.89 MET (0.74) METKDRNTRK1TEKNTRK3
SCHEMBL106402 0.89 MET (0.74) METKDRNTRK1TEKNTRK3
SCHEMBL1729128 0.87 MET (0.72) METKDRNTRK1TEKNTRK3
SCHEMBL138396 0.86 MET (0.82) METKDRNTRK1TEKNTRK3
Altiratinib SCHEMBL30128694 0.85 KDR (1.00) METKDRNTRK1TEKNTRK3
Altiratinib SCHEMBL139906 0.85 KDR (1.00) METKDRNTRK1TEKNTRK3
Altiratinib SCHEMBL29358783 0.85 KDR (1.00) METKDRNTRK1TEKNTRK3
Altiratinib SCHEMBL30337737 0.85 KDR (1.00) METKDRNTRK1TEKNTRK3
SCHEMBL143823 0.84 MET (0.78) METKDRNTRK1TEKNTRK3
SCHEMBL143640 0.84 MET (0.78) METKDRNTRK1TEKNTRK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563362-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITES Deciphera Pharmaceuticals, LLC (US) 2013-03-06 EP claimed
WO-2011137342-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITES DECIPHERA PHARMACEUTICALS, LLC (US) 2011-11-03 WO claimed
WO-2011137342-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITES DECIPHERA PHARMACEUTICALS, LLC (US) 2011-11-03 WO disclosed