SCHEMBL10698666

SCHEMBL10698666

Cn1c(-c2ccncc2)nc2cc3c(cc21)N(CCO)C(=O)C3(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BRD4 O60885 1/20 0.41
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
ATM Q13315 1/20 0.35
KIT P10721 2/20 0.34
KDM4E B2RXH2 2/20 0.33
AAK1 Q2M2I8 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL10700736 0.89 BRD4 (0.41) MEN1KMT2ABRD4HDAC1HDAC8
SCHEMBL10699166 0.89 BRD4 (0.51) MEN1KMT2ABRD4PDE3BPDE3A
SCHEMBL10698669 0.88 BRD4 (0.40) MEN1KMT2ABRD4JAK2JAK1
SCHEMBL10697520 0.87 HDAC1 (0.42) MEN1KMT2ABRD4HDAC1HDAC8
SCHEMBL10709508 0.85 DHODH (0.41) MEN1KMT2ABRD4HDAC1HDAC8
SCHEMBL10695172 0.84 MEN1 (0.47) MEN1KMT2ABRD4PDE3BPDE3A
SCHEMBL10700226 0.84 MEN1 (0.41) MEN1KMT2ABRD4JAK2JAK1
SCHEMBL10707934 0.84 CYP11B1 (0.47) MEN1KMT2ABRD4ATMKIT
SCHEMBL10700187 0.82 CA12 (0.45) MEN1KMT2ABRD4HDAC1HDAC8
SCHEMBL10700455 0.82 HDAC1 (0.42) MEN1KMT2ABRD4HDAC1HDAC8

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-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed