SCHEMBL28013379

SCHEMBL28013379

CCCC[C@H]1C(=O)N(c2ccccc2CN)CCN1Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 0.55
FNTB P49356 19/20 0.55
PGGT1B P53609 7/20 0.55
KCNH2 Q12809 2/20 0.49

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
SCHEMBL4405095 0.91 FNTA (0.63) FNTAFNTBPGGT1BKCNH2
SCHEMBL2676603 0.91 FNTA (0.63) FNTAFNTBPGGT1BKCNH2
Hydrochloric Acid SCHEMBL8590479 0.90 FNTA (0.62) FNTAFNTBPGGT1BKCNH2
SCHEMBL5583314 0.88 FNTA (0.72) FNTAFNTBPGGT1BKCNH2
SCHEMBL445938 0.74 FNTA (0.88) FNTAFNTBPGGT1BKCNH2
SCHEMBL445940 0.74 FNTA (0.88) FNTAFNTBPGGT1BKCNH2
Hydrochloric Acid SCHEMBL9083210 0.73 FNTA (0.87) FNTAFNTBPGGT1BKCNH2
Hydrochloric Acid SCHEMBL9083203 0.73 FNTA (0.87) FNTAFNTBPGGT1BKCNH2
SCHEMBL8147487 0.73 FNTA (0.85) FNTAFNTBPGGT1BKCNH2
SCHEMBL8147508 0.73 FNTA (0.85) FNTAFNTBPGGT1BKCNH2

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
CN-102391222-B As the hydroxamic acid ester of therapeutical agent PHARMACYCLICS INC. (US) 2015-10-21 CN disclosed
CN-101679266-B PIM kinase inhibitors and methods of their use NOVARTIS AG 2015-05-06 CN disclosed