SCHEMBL18655071

SCHEMBL18655071

Cc1nc2ccc(N3CCC(F)(F)C3)nn2c1C(O)Nc1cccnn1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.33
▸ AR P10275 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CSNK1E P49674 1/20 0.32
▸ CACNA1H O95180 1/20 0.31
▸ MAP3K12 Q12852 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SMPD3 Q9NY59 1/20 0.30
▸ KIF18A Q8NI77 2/20 0.30

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
SCHEMBL14897813 0.80 KIF18A (0.38) GBA1CACNA1HKIF18A
SCHEMBL18655168 0.77 AADAT (0.32) —
SCHEMBL14897426 0.76 KIF18A (0.38) CSNK1ECACNA1HSMN1; SMN2KIF18A
SCHEMBL18654755 0.73 SYK (0.35) ARKCNH2CSNK1EALDH1A1MAPT
SCHEMBL14896660 0.71 GBA1 (0.41) GBA1KCNH2CSNK1ECACNA1HALDH1A1
SCHEMBL16193131 0.71 IRAK4 (0.42) ARKCNH2CACNA1HKIF18A
SCHEMBL14881761 0.68 CLK2 (0.46) SMN1; SMN2KIF18A
SCHEMBL14897792 0.65 IRAK4 (0.45) ARKCNH2
SCHEMBL18654654 0.64 SMN1; SMN2 (0.41) CSNK1EALDH1A1MAPTSMN1; SMN2
SCHEMBL14897385 0.63 GLS (0.39) KCNH2SMN1; SMN2

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-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
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