SCHEMBL8949092

SCHEMBL8949092

N=C(N)c1ccc(-c2cnc(C(=O)N3CCC(CC(=O)O)CC3)nc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.48
ITGA2B P08514 16/20 0.48
NTRK1 P04629 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
JAK2 O60674 1/20 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
Hydrochloric Acid SCHEMBL8949163 0.88 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL8949209 0.83 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL8949114 0.77 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL8949159 0.76 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL8949071 0.72 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL8949143 0.72 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL8949136 0.72 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL8949182 0.72 ITGB3 (0.52) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8949325 0.71 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL8863340 0.70 ITGB3 (0.61) ITGB3ITGA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed