SCHEMBL22086342

SCHEMBL22086342

O=c1[nH]cnc2c1c(-c1ccccccccc1)cn2C1CCCCCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.62
EGFR P00533 9/20 0.62
ABL1 P00519 7/20 0.62
ABL2 P42684 7/20 0.62
MAPT P10636 7/20 0.52
LMNA P02545 4/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
LCK P06239 3/20 0.52
KDR P35968 3/20 0.52
TEK Q02763 2/20 0.52
KMT2A Q03164 2/20 0.52
LYN P07948 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
RGS12 O14924 1/20 0.52
NPC1 O15118 1/20 0.52
GMNN O75496 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL22086527 0.79 ABL1 (0.39) SRCEGFRABL1ABL2GAA
SCHEMBL25065700 0.79 ABL1 (0.39) SRCEGFRABL1ABL2GAA
SCHEMBL5936173 0.79 SRC (0.97) SRCEGFRABL1ABL2MAPT
SCHEMBL25066212 0.79 SRC (0.45) SRCEGFRABL1ABL2MAPT
SCHEMBL25066043 0.78 CCNE1 (0.39) SRCEGFRABL1ABL2LCK
SCHEMBL16610617 0.77 SRC (0.46) SRCEGFRABL1ABL2MAPT
SCHEMBL22086528 0.75 PDE9A (0.43) SRCEGFRABL1ABL2LCK
SCHEMBL132510 0.74 SRC (1.00) SRCEGFRABL1ABL2MAPT
SCHEMBL15265113 0.74 SRC (0.68) SRCMAPTLMNAGAAHTT
SCHEMBL25066089 0.73 SRC (1.00) SRCEGFRABL1ABL2MAPT

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-2020115481-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) 2020-06-11 WO disclosed