SCHEMBL22923639

SCHEMBL22923639

Nc1ccc(CN2N=C(c3ccc(NC(=O)N4Cc5ccncc5C4)cc3)C(c3ccccc3)CC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.48
ROCK2 O75116 1/20 0.47

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
SCHEMBL22923803 0.93 NAMPT (0.49) NAMPTROCK2
SCHEMBL22923767 0.87 NAMPT (0.49) NAMPT
SCHEMBL22923688 0.86 ROCK2 (0.47) NAMPTROCK2
SCHEMBL20159236 0.83 ROCK2 (0.54) NAMPTROCK2
SCHEMBL22923537 0.82 NAMPT (0.46) NAMPTROCK2
SCHEMBL20159234 0.80 NAMPT (0.53) NAMPT
SCHEMBL22923661 0.80 NAMPT (0.50) NAMPT
SCHEMBL22923527 0.78 ROCK2 (0.55) NAMPTROCK2
SCHEMBL22923546 0.77 NAMPT (0.44) NAMPTROCK2
SCHEMBL20142914 0.77 NAMPT (0.53) NAMPT

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
WO-2021013693-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH NAMPT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-28 WO disclosed