SCHEMBL19299983

SCHEMBL19299983

C=C(C)c1cnn(Cc2ccc(C)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.47
HSD17B10 Q99714 1/20 0.43
KDR P35968 2/20 0.42
EPHB4 P54760 2/20 0.42
TEK Q02763 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 1/20 0.40
DUSP3 P51452 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 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
SCHEMBL19300044 0.85 KLKB1 (0.46) KLKB1HSD17B10KDREPHB4TEK
SCHEMBL27364232 0.84 KLKB1 (0.53) KLKB1HSD17B10LMNAMAPTALDH1A1
SCHEMBL948453 0.81 HSD17B10 (0.61) KLKB1HSD17B10LMNAMAPTALDH1A1
SCHEMBL949612 0.81 KLKB1 (0.53) KLKB1HSD17B10LMNAALDH1A1POLB
SCHEMBL19304489 0.80 KLKB1 (0.43) KLKB1HSD17B10KDREPHB4TEK
SCHEMBL17696410 0.80 KLKB1 (0.55) KLKB1HSD17B10LMNAALDH1A1POLB
SCHEMBL15759268 0.78 KLKB1 (0.51) KLKB1HSD17B10KDREPHB4TEK
SCHEMBL3593783 0.77 MAPT (0.68) KLKB1HSD17B10KDREPHB4TEK
SCHEMBL2821953 0.77 LMNA (0.54) KLKB1HSD17B10LMNAMAPTALDH1A1
SCHEMBL2821950 0.76 HSD17B10 (0.43) KLKB1HSD17B10KDREPHB4TEK

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-2017144995-A1 PYRAZOLO[1,5-A]PYRAZIN-4-YL DERIVATIVES AS JAK-INHIBITORS PFIZER INC. (US) 2017-08-31 WO disclosed