SCHEMBL19300044

SCHEMBL19300044

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.46
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
KDR P35968 2/20 0.40
EPHB4 P54760 2/20 0.40
TEK Q02763 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
DUSP3 P51452 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL19299983 0.85 KLKB1 (0.47) KLKB1HSD17B10ALDH1A1LMNAKDM4E
SCHEMBL27364232 0.79 KLKB1 (0.53) KLKB1HSD17B10ALDH1A1LMNAKDM4E
SCHEMBL948453 0.79 HSD17B10 (0.61) KLKB1HSD17B10ALDH1A1LMNAKDM4E
SCHEMBL949612 0.79 KLKB1 (0.53) KLKB1HSD17B10ALDH1A1LMNAKDM4E
SCHEMBL19304489 0.78 KLKB1 (0.43) KLKB1HSD17B10ALDH1A1LMNAKDM4E
SCHEMBL17696410 0.78 KLKB1 (0.55) KLKB1HSD17B10ALDH1A1LMNAKDM4E
SCHEMBL15759268 0.76 KLKB1 (0.51) KLKB1HSD17B10ALDH1A1LMNAKDR
SCHEMBL3593783 0.74 MAPT (0.68) KLKB1HSD17B10ALDH1A1LMNAKDM4E
SCHEMBL2821953 0.74 LMNA (0.54) KLKB1HSD17B10ALDH1A1LMNAMAPT
SCHEMBL4676350 0.74 KLKB1 (0.49) KLKB1HSD17B10ALDH1A1KDM4EPOLB

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