SCHEMBL13804197

SCHEMBL13804197

CN(C)CC[C@H](NC(=O)c1cnc2n1[C@](C)(Cc1ccc(N)cc1)C(=O)N2c1cc(Cl)c(F)c(Cl)c1)C(=O)NC1(c2ncccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 19/20 0.60
TMEM97 Q5BJF2 1/20 0.41
ITGB2 P05107 18/20 0.40
ICAM1 P05362 18/20 0.40

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
SCHEMBL2392973 0.92 ITGAL (0.71) ITGALTMEM97ITGB2ICAM1
SCHEMBL13804202 0.88 ITGAL (0.56) ITGALTMEM97ITGB2ICAM1
SCHEMBL13804309 0.85 ITGAL (0.73) ITGALTMEM97ITGB2ICAM1
SCHEMBL13804299 0.83 ITGAL (0.63) ITGALTMEM97ITGB2ICAM1
SCHEMBL13804336 0.82 ITGAL (0.69) ITGALTMEM97ITGB2ICAM1
SCHEMBL13804334 0.82 ITGAL (0.69) ITGALTMEM97ITGB2ICAM1
SCHEMBL15295442 0.81 ITGAL (0.59) ITGALTMEM97ITGB2ICAM1
SCHEMBL2392547 0.81 ITGAL (0.66) ITGALTMEM97ITGB2ICAM1
SCHEMBL2392945 0.78 ITGAL (0.86) ITGALTMEM97ITGB2ICAM1
SCHEMBL12975774 0.77 ITGAL (0.54) ITGALTMEM97ITGB2ICAM1

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-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed