SCHEMBL9079987

SCHEMBL9079987

O=C(Nc1cccn2c(CSc3nc4cccnc4[nH]3)c(C(F)(F)F)nc12)c1c(Cl)cccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
PTGES O14684 6/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
SCN5A Q14524 2/20 0.33
SCN9A Q15858 2/20 0.33
PPARG P37231 1/20 0.33
RORC P51449 1/20 0.33
PABPC1 P11940 1/20 0.33
EIF4H Q15056 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
SCHEMBL9079990 0.89 TP53 (0.41) LMNAKMT2ASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL9233356 0.88 HDAC1 (0.43) LMNAMAPK1PTGESMEN1KMT2A
SCHEMBL9082579 0.86 TYK2 (0.37) TYK2PTGESJAK2JAK1MEN1
Hydrochloric Acid SCHEMBL9080397 0.83 HDAC1 (0.39) TYK2LMNAPTGESJAK2JAK1
Hydrochloric Acid SCHEMBL9080756 0.81 TYK2 (0.44) TYK2LMNAPTGESJAK2JAK1
SCHEMBL9081142 0.80 POLB (0.47) MEN1KMT2ACRHBPHTTCRHR2
SCHEMBL9082584 0.78 PTGES (0.38) TYK2PTGESJAK2JAK1MEN1
SCHEMBL9080031 0.78 KMT2A (0.45) TYK2PTGESJAK2JAK1MEN1
SCHEMBL9081108 0.78 KMT2A (0.45) TYK2PTGESJAK2JAK1MEN1
SCHEMBL9080202 0.77 TYK2 (0.38) TYK2LMNAMAPK1PTGESJAK2

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-1996034866-A1 IMIDAZO 1,2-A PYRIDINE AND IMIDAZO 1,2-A PYRIDEZINE DERIVATIVES AND THEIR USE AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-07 WO disclosed