SCHEMBL22249126

SCHEMBL22249126

N[C@@H]1C2CN(Cc3ccc(-n4ccc(NC(=O)N5CCNCC5)nc4=O)cc3C(F)(F)F)C[C@H]21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.37
MKNK1 Q9BUB5 4/20 0.36
MKNK2 Q9HBH9 4/20 0.36
ABL1 P00519 3/20 0.36
CYP3A4 P08684 2/20 0.36
BCR P11274 2/20 0.36
FAAH O00519 2/20 0.35
RET P07949 4/20 0.34
KDR P35968 2/20 0.34
FLT3 P36888 2/20 0.33
MGLL Q99685 1/20 0.33
CSF1R P07333 1/20 0.33
YES1 P07947 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
MELK Q14680 1/20 0.33
NTRK2 Q16620 1/20 0.33
DDR2 Q16832 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL22249136 1.00 AOC3 (0.37) AOC3MKNK1MKNK2ABL1CYP3A4
SCHEMBL22235345 0.91 FAAH (0.35) AOC3MKNK1MKNK2ABL1CYP3A4
SCHEMBL22254966 0.90 MKNK1 (0.40) AOC3MKNK1MKNK2ABL1CYP3A4
SCHEMBL22248722 0.89 FAAH (0.35) MKNK1MKNK2ABL1BCRFAAH
SCHEMBL22248308 0.88 FAAH (0.34) FAAHDDR1
SCHEMBL22235550 0.88 DPP4 (0.33) FAAHTRPV1
Hydrochloric Acid SCHEMBL30276478 0.88 FAAH (0.35) MKNK1MKNK2ABL1BCRFAAH
SCHEMBL22248280 0.87 AOC3 (0.34) AOC3MKNK1MKNK2FLT3FLT4
SCHEMBL22248602 0.87 FAAH (0.34) MKNK1MKNK2ABL1BCRFAAH
SCHEMBL22248606 0.87 FAAH (0.34) MKNK1MKNK2ABL1BCRFAAH

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-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed