SCHEMBL9525627

SCHEMBL9525627

CN(C)CCN(C)C(=O)c1nnc2ccccc2c1O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.40
MAP2K3 P46734 1/20 0.40
MAP2K6 P52564 1/20 0.40
BTK Q06187 1/20 0.40
MAP3K19 Q56UN5 1/20 0.40
NEK10 Q6ZWH5 1/20 0.40
PARP1 P09874 4/20 0.40
POLR1A O95602 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
GPR3 P46089 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9527775 0.86 CYP1A2 (0.47) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL9524656 0.84 CYP1A2 (0.43)
SCHEMBL9524590 0.78 RAD52 (0.49) POLR1AHTT
SCHEMBL9524674 0.77 KMT2A (0.45) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL9524829 0.76 HTT (0.56) PARP1POLR1AMEN1KMT2AHTT
SCHEMBL9525025 0.75 ALDH1A1 (0.44)
SCHEMBL16628740 0.74 ADORA3 (0.50) MEN1KMT2A
SCHEMBL9524895 0.74 ALDH1A1 (0.47) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL9523543 0.73 MEN1 (0.44) MEN1KMT2A
SCHEMBL9527463 0.73 LCK (0.38) LCKMAP2K3MAP2K6BTKMAP3K19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP disclosed
US-4826837-A IMMUNOMODULATORS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-05-02 US disclosed
EP-0277791-A2 Cinnoline-carboxamides and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-08-10 EP disclosed