SCHEMBL18524596

SCHEMBL18524596

CC(C)(C)NC(=O)Oc1c[nH]c2ncc(-c3cccc4cn[nH]c34)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 1/20 0.43
SYK P43405 14/20 0.41
CYP2D6 P10635 2/20 0.41
MAPK1 P28482 2/20 0.35
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
MAP4K4 O95819 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
LTK P29376 1/20 0.34
KDR P35968 1/20 0.34
MAP2K2 P36507 1/20 0.34
FLT3 P36888 1/20 0.34
CSNK1A1 P48729 1/20 0.34
PRKX P51817 1/20 0.34
CDK5 Q00535 1/20 0.34

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
SCHEMBL18524821 0.87 SYK (0.42) SYKCYP2D6MAPK1AURKACSF1R
SCHEMBL14738655 0.83 SYK (0.59) TYRO3SYKCYP2D6KCNH2
SCHEMBL18524882 0.83 MAPK1 (0.41) SYKCYP2D6MAPK1
Hydrochloric Acid SCHEMBL14737871 0.82 SYK (0.58) TYRO3SYKCYP2D6KCNH2
SCHEMBL18524557 0.79 SYK (0.43) SYKCYP2D6KDRKCNH2
SCHEMBL18524738 0.78 SYK (0.46) SYKCYP2D6KCNH2
SCHEMBL18535128 0.77 SYK (0.45) TYRO3SYKCYP2D6MAPK1PLK4
SCHEMBL18524547 0.76 SYK (0.49) SYKCYP2D6KCNH2
SCHEMBL18524782 0.76 SYK (0.54) SYKCYP2D6KCNH2
SCHEMBL18524617 0.76 SYK (0.53) SYKCYP2D6KCNH2

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
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP claimed