SCHEMBL25864472

SCHEMBL25864472

FC(F)(F)Oc1cccc(C2=CCNCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.63
SIGMAR1 Q99720 2/20 0.54
JAK2 O60674 1/20 0.51
PRKD3 O94806 1/20 0.51
MARK3 P27448 1/20 0.51
PRKCI P41743 1/20 0.51
PRKCD Q05655 1/20 0.51
CAMK2B Q13554 1/20 0.51
CAMK2G Q13555 1/20 0.51
CAMK2D Q13557 1/20 0.51
BRSK1 Q8TDC3 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
MAP4K5 Q9Y4K4 1/20 0.51
QDPR P09417 3/20 0.47
NPY5R Q15761 1/20 0.41
XDH P47989 1/20 0.40
GALR1 P47211 1/20 0.40
DYRK1A Q13627 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
SCHEMBL15594899 0.92 HTR2C (0.53) HTR2CSIGMAR1JAK2PRKD3MARK3
SCHEMBL15594900 0.87 HTR2C (0.48) HTR2CSIGMAR1JAK2PRKD3MARK3
SCHEMBL3392218 0.83 JAK2 (0.63) HTR2CSIGMAR1JAK2PRKD3MARK3
Hydrochloric Acid SCHEMBL5541194 0.82 JAK2 (0.65) HTR2CSIGMAR1JAK2PRKD3MARK3
SCHEMBL7394377 0.81 HTR2C (0.60) HTR2CSIGMAR1QDPR
Hydrochloric Acid SCHEMBL4789235 0.79 HTR2C (0.61) HTR2CSIGMAR1QDPR
SCHEMBL14894786 0.79 TACR1 (0.44) NPY5RXDHGALR1DYRK1A
SCHEMBL10104548 0.79 JAK2 (0.47) HTR2CSIGMAR1JAK2PRKD3MARK3
SCHEMBL2299855 0.79 JAK2 (0.56) HTR2CSIGMAR1JAK2PRKD3MARK3
SCHEMBL186156 0.78 HTR2C (1.00) HTR2CSIGMAR1QDPR

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-2023140709-A1 OXAZOLE DERIVATIVE COMPOUND HAVING ANTIBACTERIAL ACTIVITY AND MEDICAL USE THEREOF 재단법인 한국파스퇴르연구소 2023-07-27 WO disclosed