SCHEMBL9527775

SCHEMBL9527775

CCCCN(C)C(=O)c1nnc2ccccc2c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
CSNK2A1 P68400 2/20 0.41
KDR P35968 1/20 0.41
ELANE P08246 2/20 0.40
PDK2 Q15119 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
LCK P06239 1/20 0.38
MAP2K3 P46734 1/20 0.38
MAP2K6 P52564 1/20 0.38
BTK Q06187 1/20 0.38
MAP3K19 Q56UN5 1/20 0.38
NEK10 Q6ZWH5 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 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
SCHEMBL9524656 0.95 CYP1A2 (0.43) CYP1A2GAAHPGDTSHRCSNK2A2
SCHEMBL9525627 0.86 LCK (0.40) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL9525025 0.83 ALDH1A1 (0.44)
SCHEMBL3094124 0.75 ADORA3 (0.48) CYP1A2GAAHPGDTSHRELANE
SCHEMBL9524674 0.75 KMT2A (0.45) HPGDSMN1; SMN2LCKMAP2K3MAP2K6
SCHEMBL9527401 0.75 TSHR (0.51) HPGDTSHRSMN1; SMN2NPC1MAPT
SCHEMBL9524895 0.75 ALDH1A1 (0.47) HPGDTSHRSMN1; SMN2NPC1LCK
SCHEMBL9525892 0.73 NAAA (0.52) GAAHPGDTSHRSMN1; SMN2NPC1
SCHEMBL9525682 0.73 NAAA (0.52) GAAHPGDTSHRSMN1; SMN2NPC1
SCHEMBL9524829 0.72 HTT (0.56) CYP1A2HPGDNPC1

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