SCHEMBL28046474

SCHEMBL28046474

Cc1ccc(C(=O)NC2CCCC2)cc1-c1ccc2cc(C3(C(N)=O)CC3)ncc2c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 14/20 0.68
MAPK14 Q16539 5/20 0.58
LCK P06239 1/20 0.58
CSF1R P07333 1/20 0.58
KDR P35968 1/20 0.58
RIPK2 O43353 1/20 0.51

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
SCHEMBL28046460 0.90 ABL1 (0.67) ABL1MAPK14LCKCSF1RKDR
SCHEMBL28046442 0.89 ABL1 (0.70) ABL1MAPK14LCKCSF1RKDR
SCHEMBL28046463 0.89 ABL1 (0.70) ABL1MAPK14LCKCSF1RKDR
SCHEMBL28046496 0.86 ABL1 (0.53) ABL1MAPK14LCKCSF1RKDR
SCHEMBL28046485 0.85 ABL1 (0.60) ABL1MAPK14
SCHEMBL28046472 0.85 ABL1 (0.62) ABL1MAPK14
SCHEMBL28046468 0.85 ABL1 (0.75) ABL1
SCHEMBL28046448 0.83 ABL1 (0.66) ABL1
SCHEMBL9939085 0.82 ABL1 (0.78) ABL1MAPK14LCKCSF1RKDR
SCHEMBL14244607 0.81 ABL1 (1.00) ABL1

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
CN-103261167-B 6 of replacement, 6-condenses nitrogen-containing heterocycle compound and uses thereof HOFFMAN-LA ROCHE LTD. (CH) 2016-05-04 CN claimed