SCHEMBL7375515

SCHEMBL7375515

Nc1ccnc(C(c2ccncc2)C2CCNCC2)c1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ AKT1 P31749 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ NT5E P21589 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ SLC6A4 P31645 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ FFAR2 O15552 1/20 0.36

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
SCHEMBL7377774 0.88 AKT1 (0.41) MAPK1AKT1KMT2AMEN1
SCHEMBL7360266 0.72 SMN1; SMN2 (0.42) AKT1KMT2AMEN1
SCHEMBL5756624 0.69 KDR (0.54) MAPK1AKT1KMT2AMEN1NR3C1
SCHEMBL6376557 0.67 AKT1 (0.48) MAPK1AKT1SLC6A4FFAR2
SCHEMBL7376714 0.67 TRPV1 (0.48) JAK1MAPK1
SCHEMBL6376191 0.66 AKT1 (0.48) MAPK1AKT1KMT2AMEN1SLC6A4
SCHEMBL7380430 0.66 SLC6A4 (0.38) AKT1SLC6A4
SCHEMBL6806957 0.65 AKT1 (0.50) MAPK1AKT1SLC6A4FFAR2
SCHEMBL19555627 0.64 EPHX2 (0.59) KMT2A
SCHEMBL10460532 0.64 SLC6A4 (0.55) SLC6A4

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-1140881-A1 ANTITHROMBOTIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000039111-A1 ANTITHROMBOTIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 — — WO disclosed
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