SCHEMBL21177647

SCHEMBL21177647

O=C(NCc1cnc2[nH]cc(Cl)c2c1)c1cn(Cc2cc(F)c3ncc(Cl)cc3c2)nc1C(F)F

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 19/20 0.60
▸ MAP4K1 Q92918 3/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ CACNA1I Q9P0X4 1/20 0.38

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
SCHEMBL21179429 0.89 KLKB1 (0.60) KLKB1MAP4K1CACNA1GCACNA1HCACNA1I
SCHEMBL21177369 0.89 KLKB1 (0.76) KLKB1MAP4K1
SCHEMBL19780091 0.88 KLKB1 (0.77) KLKB1MAP4K1CACNA1GCACNA1HCACNA1I
SCHEMBL21185846 0.83 KLKB1 (0.80) KLKB1MAP4K1CACNA1GCACNA1HCACNA1I
SCHEMBL21177966 0.80 KLKB1 (0.71) KLKB1
SCHEMBL21185838 0.79 KLKB1 (0.47) KLKB1CACNA1GCACNA1HCACNA1I
SCHEMBL24117387 0.78 KLKB1 (0.74) KLKB1MAP4K1
SCHEMBL21190227 0.78 KLKB1 (0.59) KLKB1MAP4K1
SCHEMBL21182292 0.77 KLKB1 (0.55) KLKB1MAP4K1
SCHEMBL21178101 0.77 KLKB1 (0.77) KLKB1MAP4K1

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-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 — — WO disclosed
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