SCHEMBL7002224

SCHEMBL7002224

CCC(N)c1cccc2c1c(-c1ccccc1)nn2C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.44
ABL1 P00519 6/20 0.44
VCP P55072 5/20 0.36
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PSMC4 P43686 1/20 0.34
KDM4E B2RXH2 2/20 0.33
RIPK2 O43353 2/20 0.33
ALDH1A1 P00352 2/20 0.33
EGFR P00533 2/20 0.33
LMNA P02545 2/20 0.33
LCK P06239 2/20 0.33
FYN P06241 2/20 0.33
YES1 P07947 2/20 0.33
LYN P07948 2/20 0.33
PDGFRA P16234 2/20 0.33
PRKACA P17612 2/20 0.33
KDR P35968 2/20 0.33
FRK P42685 2/20 0.33
HTT P42858 2/20 0.33

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
SCHEMBL7003897 0.80 SRC (0.42) SRCABL1VCPHPGDSMN1; SMN2
SCHEMBL7003040 0.79 SRC (0.41) SRCABL1VCPHPGDSMN1; SMN2
SCHEMBL6998124 0.77 SRC (0.55) SRCABL1VCPHPGDSMN1; SMN2
SCHEMBL6997527 0.74 SRC (0.46) SRCABL1VCPHPGDSMN1; SMN2
SCHEMBL6997533 0.74 SRC (0.46) SRCABL1VCPHPGDSMN1; SMN2
SCHEMBL7001439 0.72 SRC (0.44) SRCABL1VCPHPGDPSMC4
SCHEMBL7001441 0.72 SRC (0.44) SRCABL1VCPHPGDSMN1; SMN2
SCHEMBL7003178 0.72 SRC (0.46) SRCABL1VCPHPGDSMN1; SMN2
SCHEMBL7003995 0.72 SRC (0.43) SRCABL1VCPHPGDPSMC4
SCHEMBL7000322 0.70 SRC (0.44) SRCABL1VCPSMN1; SMN2PSMC4

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-1140938-B1 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF UNIV PRINCETON (US) 2003-08-27 EP disclosed