SCHEMBL15428709

SCHEMBL15428709

CC(C)(C)NC(=O)c1cnn2ccc(N(c3ccccc3Cl)[SH](=O)=O)nc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 10/20 0.43
RIPK2 O43353 1/20 0.42
LCK P06239 1/20 0.42
JAK2 O60674 6/20 0.41
NTRK1 P04629 6/20 0.41
LMNA P02545 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL15428578 0.88 NTRK1 (0.45) EPHB3JAK2NTRK1LMNA
SCHEMBL15428669 0.81 NTRK1 (0.54) JAK2NTRK1
SCHEMBL15428595 0.80 SYK (0.45) JAK2NTRK1LMNAIRAK4KDM4E
SCHEMBL15428580 0.80 EPHB3 (0.49) EPHB3RIPK2LCKJAK2IRAK4
SCHEMBL15428575 0.79 NTRK1 (0.43) JAK2NTRK1LMNA
SCHEMBL15428725 0.77 EPHB3 (0.48) EPHB3RIPK2LCKJAK2IRAK4
SCHEMBL15428663 0.76 JAK2 (0.46) EPHB3JAK2LMNAIRAK4KDM4E
SCHEMBL15428727 0.74 EPHB3 (0.47) EPHB3JAK2NTRK1LMNAIRAK4
SCHEMBL15428620 0.74 JAK2 (0.41) JAK2NTRK1LMNAKDM4EPKM
SCHEMBL405588 0.73 IRAK4 (0.45) EPHB3JAK2NTRK1LMNAIRAK4

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
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed