SCHEMBL22336541

SCHEMBL22336541

CPNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 10/20 0.84
▸ KDR P35968 6/20 0.84
▸ PDGFRB P09619 4/20 0.84
▸ RET P07949 3/20 0.84
▸ BRAF P15056 3/20 0.84
▸ GSK3B P49841 2/20 0.84
▸ RIPK2 O43353 2/20 0.84
▸ ABCB11 O95342 2/20 0.84
▸ ABL1 P00519 2/20 0.84
▸ HTR1A P08908 2/20 0.84
▸ ADORA3 P0DMS8 2/20 0.84
▸ KIT P10721 2/20 0.84
▸ FGFR1 P11362 2/20 0.84
▸ PDGFRA P16234 2/20 0.84
▸ FLT1 P17948 2/20 0.84
▸ MAOA P21397 2/20 0.84
▸ EPHA1 P21709 2/20 0.84
▸ TBXA2R P21731 2/20 0.84
▸ EPHA2 P29317 2/20 0.84
▸ TTK P33981 2/20 0.84

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
Sorafenib SCHEMBL8218 0.91 RAF1 (1.00) RAF1KDRPDGFRBRETBRAF
Sorafenib SCHEMBL14739751 0.91 RAF1 (1.00) RAF1KDRPDGFRBRETBRAF
Sorafenib SCHEMBL29349634 0.91 RAF1 (1.00) RAF1KDRPDGFRBRETBRAF
Sorafenib SCHEMBL1533982 0.90 RAF1 (0.98) RAF1KDRPDGFRBRETBRAF
Sorafenib SCHEMBL1896610 0.90 RAF1 (0.98) RAF1KDRPDGFRBRETBRAF
SCHEMBL24535359 0.90 RAF1 (0.84) RAF1KDRPDGFRBRETBRAF
Sorafenib SCHEMBL28894639 0.90 RAF1 (0.98) RAF1KDRPDGFRBRETBRAF
Sorafenib SCHEMBL18863920 0.90 RAF1 (0.98) RAF1KDRPDGFRBRETBRAF
Sorafenib SCHEMBL1533976 0.90 RAF1 (0.98) RAF1KDRPDGFRBRETBRAF
Sorafenib SCHEMBL28817561 0.90 RAF1 (0.98) RAF1KDRPDGFRBRETBRAF

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-2020163598-A1 IMMUNOPHILIN-DEPENDENT INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 — — WO disclosed
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