SCHEMBL530117

SCHEMBL530117

O=C(O)NC1(c2ccc(-c3nn4c(Br)cnc4cc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.69
AKT2 P31751 20/20 0.69

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
SCHEMBL15169324 0.88 AKT1 (0.61) AKT1AKT2
SCHEMBL15169488 0.84 AKT1 (0.73) AKT1AKT2
SCHEMBL15183436 0.82 AKT1 (1.00) AKT1AKT2
Hydrochloric Acid SCHEMBL529671 0.81 AKT1 (0.98) AKT1AKT2
SCHEMBL15170214 0.79 AKT1 (0.61) AKT1AKT2
SCHEMBL15169825 0.78 AKT1 (0.65) AKT1AKT2
SCHEMBL360850 0.77 AKT1 (0.44) AKT1AKT2
SCHEMBL17872416 0.77 AKT1 (0.54) AKT1AKT2
SCHEMBL15183416 0.75 AKT1 (0.64) AKT1AKT2
SCHEMBL15170165 0.75 AKT1 (0.62) AKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598505-A2 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-06-05 EP disclosed
WO-2012013713-A2 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 WO disclosed