SCHEMBL4075737

SCHEMBL4075737

Cc1cnc(NCCCC2CCCNC2)nc1-c1cc2c(C(=O)ONC3CC3)cccc2s1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 20/20 0.42

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
SCHEMBL3965324 0.91 ACP1 (0.45) ACP1
SCHEMBL4075734 0.87 ACP1 (0.45) ACP1
Hydrochloric Acid SCHEMBL4071535 0.85 HRH4 (0.36)
SCHEMBL3958520 0.82 TYRO3 (0.43) ACP1
Hydrochloric Acid SCHEMBL4089904 0.82 ACP1 (0.44) ACP1
SCHEMBL4084390 0.80 AURKA (0.39) ACP1
SCHEMBL3961626 0.80 MERTK (0.36) ACP1
Hydrochloric Acid SCHEMBL4084777 0.78 TYRO3 (0.40)
Hydrochloric Acid SCHEMBL4069332 0.77 GSK3A (0.35)
SCHEMBL3961594 0.77 TYRO3 (0.40)

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-1989200-B1 [4-(BENZO[B]THIOPHEN-2-YL)-PYRIMIDIN-2-YL]-AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES LILLY CO ELI (US) 2009-07-29 EP disclosed